A0A3Q0KLS6_SCHMA Loading...

Bestrophin homolog

Forms chloride channels.

AlphaFold DB , UniProt , Accession A0A3Q0KLS6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 413 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M54.9Low84.2Confident98 Ų9872 Ų7248%0.48344%0.444SS..  01290-108.1-159.3-63.400108Y5 W93M1-Y5 HydrophobicContact CE-CE1 3.71Å; M1-Y5 HydrophobicContact SD-CE1 3.78Å; M1-W93 HydrophobicContact CG-CZ2 4.41Å
2T75Confident84.6Confident28 Ų2874.9 Ų74.917%0.17248%0.481CS..  trans-95-26.5-171.8-57.70000110.2T4 V303 D304 D305 E307T2-T4 PolarHBondContact O-N 3.2Å; T2-V303 VanDerWaalsContact CB-O 3.25Å; T2-V303 WeakPolarHBondContact CB-O 3.47Å; T2-V303 WeakPolarHBondContact CG2-O 3.44Å; T2-D304 PolarHBondContact N-OD1 3.46Å; T2-D305 PolarHBondContact OG1-O 3.29Å; T2-E307 HydrophobicContact CG2-CG 3.45Å; T2-E307 VanDerWaalsContact CG2-CG 3.45Å; T2-E307 WeakPolarHBondContact CG2-OE1 3.24Å
3V84.6Confident84.7Confident13 Ų1380.5 Ų80.58%0.07949%0.493CS..SBendtrans-84.892.7162.5-172.90000109.1Y5 M23 K25 V303 D304V3-Y5 WeakPolarHBondContact O-CD1 3.25Å; V3-Y5 PolarHBondContact O-N 3.27Å; V3-M23 HydrophobicContact CG1-CE 4.08Å; V3-K25 HydrophobicContact CG2-CD 4.21Å; V3-K25 HydrophobicContact CG2-CG 3.88Å; V3-V303 HydrophobicContact CG2-CG1 3.74Å; V3-D304 VanDerWaalsContact CB-OD1 3.22Å; V3-D304 WeakPolarHBondContact CB-OD1 3.4Å; V3-D304 VanDerWaalsContact CG2-OD1 3.32Å; V3-D304 WeakPolarHBondContact CG2-OD1 3.47Å; V3-D304 PolarHBondContact N-OD1 3.3Å
4T87Confident84.8Confident112 Ų11289.7 Ų89.769%0.68752%0.516SS*.  trans-81.2119.2176.653.70000110.7T2T2-T4 PolarHBondContact O-N 3.2Å
5Y91.4Very high85Confident83 Ų8395.5 Ų95.533%0.32553%0.526SS..  trans-122.311.7173.859.4-94.2000112.8M1 V3 S7 V8 V9 L20M1-Y5 HydrophobicContact CE-CE1 3.71Å; M1-Y5 HydrophobicContact SD-CE1 3.78Å; V3-Y5 WeakPolarHBondContact O-CD1 3.25Å; V3-Y5 PolarHBondContact O-N 3.27Å; Y5-S7 VanDerWaalsContact C-N 3.28Å; Y5-S7 PolarHBondContact O-N 2.67Å; Y5-V8 WeakPolarHBondContact O-CB 2.99Å; Y5-V8 PolarHBondContact O-N 3.11Å; Y5-V9 HydrophobicContact CD2-CG1 4.01Å; Y5-V9 HydrophobicContact CD2-CG2 4.12Å; Y5-V9 HydrophobicContact CE2-CG1 4.43Å; Y5-V9 HydrophobicContact CE2-CG2 4.41Å; Y5-V9 PolarHBondContact O-N 2.82Å; Y5-L20 HydrophobicContact CD2-CD1 4.3Å; Y5-L20 HydrophobicContact CD2-CD2 4.09Å; Y5-L20 HydrophobicContact CE2-CD1 4.36Å; Y5-L20 HydrophobicContact CG-CD2 4.3Å
6S90.4Very high85.3Confident88 Ų8890.5 Ų90.562%0.61550%0.5SS*.THydrogen-bonded Turntrans-56.1-38.4-176.7-53.20000113.2V8 V9 A10S6-V8 VanDerWaalsContact C-N 3.3Å; S6-V8 PolarHBondContact O-N 2.95Å; S6-V9 PolarHBondContact O-N 2.85Å; S6-A10 PolarHBondContact O-N 2.97Å
7S89.4Confident85.6Confident105 Ų10594.2 Ų94.273%0.73451%0.51SS*.THydrogen-bonded Turntrans-66.6-30.5177.357.70000113Y5Y5-S7 VanDerWaalsContact C-N 3.28Å; Y5-S7 PolarHBondContact O-N 2.67Å
8V86Confident85.9Confident59 Ų5992.9 Ų92.936%0.35850%0.502SS..THydrogen-bonded Turntrans-71.9-33.5178.8-176.70000111Y5 S6 L20Y5-V8 WeakPolarHBondContact O-CB 2.99Å; Y5-V8 PolarHBondContact O-N 3.11Å; S6-V8 VanDerWaalsContact C-N 3.3Å; S6-V8 PolarHBondContact O-N 2.95Å; V8-L20 HydrophobicContact CB-CD2 4.45Å; V8-L20 HydrophobicContact CG1-CD2 4.06Å
9V90.7Very high86.1Confident44 Ų4496.4 Ų96.427%0.26751%0.507SS..SBendtrans-101.66.5-177.6-58.60000113.9Y5 S6 T11 T16 F17 L20Y5-V9 HydrophobicContact CD2-CG1 4.01Å; Y5-V9 HydrophobicContact CD2-CG2 4.12Å; Y5-V9 HydrophobicContact CE2-CG1 4.43Å; Y5-V9 HydrophobicContact CE2-CG2 4.41Å; Y5-V9 PolarHBondContact O-N 2.82Å; S6-V9 PolarHBondContact O-N 2.85Å; V9-T11 PolarHBondContact O-N 2.78Å; V9-T11 VanDerWaalsContact O-N 3.12Å; V9-T16 HydrophobicContact CB-CG2 4.15Å; V9-T16 HydrophobicContact CG1-CG2 3.94Å; V9-F17 HydrophobicContact CG1-CD1 4.36Å; V9-F17 HydrophobicContact CG1-CE1 4.2Å; V9-L20 HydrophobicContact CG1-CD1 3.83Å; V9-L20 HydrophobicContact CG1-CD2 4.17Å; V9-L20 HydrophobicContact CG1-CG 4.36Å
10A90.8Very high86.5Confident79 Ų7993.7 Ų93.765%0.65349%0.493SS*.SBendtrans-60.1-25.9-176.200000113.5S6S6-A10 PolarHBondContact O-N 2.97Å
11T86.6Confident86.8Confident83 Ų8393.9 Ų93.951%0.50949%0.493SS..SBendtrans-127.6130.1176.8-440000110.3V9 K13 T16V9-T11 PolarHBondContact O-N 2.78Å; V9-T11 VanDerWaalsContact O-N 3.12Å; T11-K13 HydrophobicContact CG2-CG 4.07Å; T11-K13 PolarHBondContact O-N 2.68Å; T11-T16 PolarHBondContact O-OG1 3.37Å
12A88.4Confident88.6Confident107 Ų10797.6 Ų97.688%0.88451%0.507SS*.  trans-70.192.5170.700000109.6
13K86.2Confident89.5Confident148 Ų14899.3 Ų99.364%0.64351%0.514SS*.  trans-107.7169.5172.5-65.9-173.9179.3-178.40109.4T11 W15 T16T11-K13 HydrophobicContact CG2-CG 4.07Å; T11-K13 PolarHBondContact O-N 2.68Å; K13-W15 PolarHBondContact O-N 3.23Å; K13-T16 PolarHBondContact N-OG1 3.12Å; K13-T16 VanDerWaalsContact N-OG1 3.1Å; K13-T16 PolarHBondContact O-N 2.94Å; K13-T16 PolarHBondContact O-OG1 3.22Å; K13-T16 VanDerWaalsContact O-OG1 3.12Å
14Y86.4Confident89.9Confident209 Ų209106 Ų10682%0.8254%0.538SS*.THydrogen-bonded Turntrans-55.4138.3165.2-53.9-71.6000109.5T16Y14-T16 VanDerWaalsContact C-N 3.25Å; Y14-T16 PolarHBondContact O-N 2.91Å
15W88.2Confident90Very high176 Ų176106.4 Ų106.467%0.66753%0.53SS*.THydrogen-bonded Turntrans66.89.6174.7-46.592.3000116.7K13 F17 I18 R19K13-W15 PolarHBondContact O-N 3.23Å; W15-F17 VanDerWaalsContact C-N 3.33Å; W15-F17 PolarHBondContact O-N 3.13Å; W15-I18 HydrophobicContact CB-CB 4.34Å; W15-I18 HydrophobicContact CD2-CD1 4.15Å; W15-I18 HydrophobicContact CE3-CB 4Å; W15-I18 HydrophobicContact CE3-CD1 3.12Å; W15-I18 HydrophobicContact CE3-CG1 4.09Å; W15-I18 HydrophobicContact CE3-CG2 3.92Å; W15-I18 HydrophobicContact CZ3-CD1 3.34Å; W15-I18 PolarHBondContact O-N 2.77Å; W15-R19 PolarHBondContact O-N 2.99Å; W15-R19 VanDerWaalsContact O-N 3.08Å
16T89.2Confident89.8Confident16 Ų16103.9 Ų103.910%0.09853%0.529CS..Hα-helixtrans-51.7-48.8-178.9-65.80000112.4V9 T11 K13 Y14 R19V9-T16 HydrophobicContact CB-CG2 4.15Å; V9-T16 HydrophobicContact CG1-CG2 3.94Å; T11-T16 PolarHBondContact O-OG1 3.37Å; K13-T16 PolarHBondContact N-OG1 3.12Å; K13-T16 VanDerWaalsContact N-OG1 3.1Å; K13-T16 PolarHBondContact O-N 2.94Å; K13-T16 PolarHBondContact O-OG1 3.22Å; K13-T16 VanDerWaalsContact O-OG1 3.12Å; Y14-T16 VanDerWaalsContact C-N 3.25Å; Y14-T16 PolarHBondContact O-N 2.91Å; T16-R19 PolarHBondContact O-N 3.04Å
17F90.8Very high90Very high153 Ų153100.3 Ų100.367%0.67150%0.504SS*.Hα-helixtrans-76.4-26178.8-70.6-5.1000113.8V9 W15 R19 L20V9-F17 HydrophobicContact CG1-CD1 4.36Å; V9-F17 HydrophobicContact CG1-CE1 4.2Å; W15-F17 VanDerWaalsContact C-N 3.33Å; W15-F17 PolarHBondContact O-N 3.13Å; F17-R19 PolarHBondContact O-N 3.49Å; F17-L20 HydrophobicContact CD1-CD1 4Å; F17-L20 WeakPolarHBondContact O-CB 3.11Å; F17-L20 PolarHBondContact O-N 3.31Å
18I91.2Very high90.2Very high71 Ų7197.8 Ų97.836%0.36448%0.484SS..Hα-helixtrans-67.5-30.5177-68.9170.9000110.4W15 L20 L21 F22W15-I18 HydrophobicContact CB-CB 4.34Å; W15-I18 HydrophobicContact CD2-CD1 4.15Å; W15-I18 HydrophobicContact CE3-CB 4Å; W15-I18 HydrophobicContact CE3-CD1 3.12Å; W15-I18 HydrophobicContact CE3-CG1 4.09Å; W15-I18 HydrophobicContact CE3-CG2 3.92Å; W15-I18 HydrophobicContact CZ3-CD1 3.34Å; W15-I18 PolarHBondContact O-N 2.77Å; I18-L20 VanDerWaalsContact C-N 3.27Å; I18-L20 PolarHBondContact O-N 3.05Å; I18-L21 WeakPolarHBondContact O-CB 3.14Å; I18-L21 PolarHBondContact O-N 3.47Å; I18-F22 HydrophobicContact CG2-CE2 4.1Å; I18-F22 VanDerWaalsContact O-CD2 3.27Å; I18-F22 WeakPolarHBondContact O-CD2 3.26Å
19R89.8Confident90.6Very high160 Ų16098.4 Ų98.460%0.60448%0.481SS*.Hα-helixtrans-61.6-34.6171-67.7178.5179.3-171.4-2.6112.9W15 T16 F17 L21 F22W15-R19 PolarHBondContact O-N 2.99Å; W15-R19 VanDerWaalsContact O-N 3.08Å; T16-R19 PolarHBondContact O-N 3.04Å; F17-R19 PolarHBondContact O-N 3.49Å; R19-L21 VanDerWaalsContact C-N 3.27Å; R19-L21 PolarHBondContact O-N 3.28Å; R19-F22 PolarHBondContact O-N 2.89Å
20L93Very high90.8Very high42 Ų42101.5 Ų101.522%0.2249%0.488CS..Hα-helixtrans-67.1-30.4179.2-56.7179.3000112.1Y5 V8 V9 F17 I18 F22 M23Y5-L20 HydrophobicContact CD2-CD1 4.3Å; Y5-L20 HydrophobicContact CD2-CD2 4.09Å; Y5-L20 HydrophobicContact CE2-CD1 4.36Å; Y5-L20 HydrophobicContact CG-CD2 4.3Å; V8-L20 HydrophobicContact CB-CD2 4.45Å; V8-L20 HydrophobicContact CG1-CD2 4.06Å; V9-L20 HydrophobicContact CG1-CD1 3.83Å; V9-L20 HydrophobicContact CG1-CD2 4.17Å; V9-L20 HydrophobicContact CG1-CG 4.36Å; F17-L20 HydrophobicContact CD1-CD1 4Å; F17-L20 WeakPolarHBondContact O-CB 3.11Å; F17-L20 PolarHBondContact O-N 3.31Å; I18-L20 VanDerWaalsContact C-N 3.27Å; I18-L20 PolarHBondContact O-N 3.05Å; L20-F22 PolarHBondContact O-N 3.4Å; L20-F22 VanDerWaalsContact O-N 3.15Å; L20-M23 HydrophobicContact CD2-SD 3.89Å; L20-M23 WeakPolarHBondContact O-CB 3.07Å; L20-M23 PolarHBondContact O-N 2.9Å
21L93.7Very high90.9Very high97 Ų97100.6 Ų100.651%0.50847%0.472SS..THydrogen-bonded Turntrans-65.5-13.5176.4-59.7179.9000113.4I18 R19 Y29I18-L21 WeakPolarHBondContact O-CB 3.14Å; I18-L21 PolarHBondContact O-N 3.47Å; R19-L21 VanDerWaalsContact C-N 3.27Å; R19-L21 PolarHBondContact O-N 3.28Å; L21-Y29 WeakPolarHBondContact O-CE2 3.38Å; L21-Y29 PolarHBondContact O-OH 2.98Å
22F92.9Very high91.4Very high176 Ų17696.7 Ų96.777%0.77245%0.448SS*.THydrogen-bonded Turntrans-95.8-1.7175-66-76.3000113.3I18 R19 L20I18-F22 HydrophobicContact CG2-CE2 4.1Å; I18-F22 VanDerWaalsContact O-CD2 3.27Å; I18-F22 WeakPolarHBondContact O-CD2 3.26Å; R19-F22 PolarHBondContact O-N 2.89Å; L20-F22 PolarHBondContact O-N 3.4Å; L20-F22 VanDerWaalsContact O-N 3.15Å
23M92.3Very high91.7Very high64 Ų6498.1 Ų98.132%0.31543%0.43SS..  trans-80.1136.4175.2-64.6-177.262.800110.3V3 L20 S27V3-M23 HydrophobicContact CG1-CE 4.08Å; L20-M23 HydrophobicContact CD2-SD 3.89Å; L20-M23 WeakPolarHBondContact O-CB 3.07Å; L20-M23 PolarHBondContact O-N 2.9Å; M23-S27 WeakPolarHBondContact O-CB 3.35Å
24W93Very high92.2Very high153 Ų15396.7 Ų96.758%0.5842%0.424SS*.  trans-97.8-41.4177.7-179-107.5000113.4G26 S27 R30W24-G26 PolarHBondContact O-N 3.35Å; W24-S27 VanDerWaalsContact O-CB 3.23Å; W24-S27 WeakPolarHBondContact O-CB 3.4Å; W24-S27 PolarHBondContact O-N 3.34Å; W24-S27 VanDerWaalsContact O-N 3.17Å; W24-S27 PolarHBondContact O-OG 2.93Å; W24-R30 HydrophobicContact CD2-CB 4.4Å; W24-R30 HydrophobicContact CH2-CB 4.38Å; W24-R30 HydrophobicContact CZ2-CB 4.01Å; W24-R30 HydrophobicContact CZ2-CG 4.24Å
25K89.9Confident92.7Very high121 Ų12189 Ų8953%0.52640%0.396SS..THydrogen-bonded Turntrans-68126.6-179.8-167.7-178.8178.2-175.50109.2V3 S27 V303V3-K25 HydrophobicContact CG2-CD 4.21Å; V3-K25 HydrophobicContact CG2-CG 3.88Å; K25-S27 PolarHBondContact O-N 3.47Å; K25-V303 HydrophobicContact CD-CG1 4.08Å; K25-V303 VanDerWaalsContact CE-CG1 3.41Å; K25-V303 HydrophobicContact CG-CG1 3.45Å; K25-V303 VanDerWaalsContact CG-CG1 3.45Å
26G87.9Confident93.1Very high30 Ų3082.9 Ų82.931%0.30937%0.374SS..THydrogen-bonded Turntrans68.412.8-175.400000114.6W24 D304W24-G26 PolarHBondContact O-N 3.35Å; G26-D304 WeakPolarHBondContact CA-OD2 3.43Å
27S93.7Very high93.5Very high13 Ų1387 Ų879%0.09140%0.395CS..  trans-83.8155.8-173.373.30000113.3M23 W24 K25 Y29 R30 L31M23-S27 WeakPolarHBondContact O-CB 3.35Å; W24-S27 VanDerWaalsContact O-CB 3.23Å; W24-S27 WeakPolarHBondContact O-CB 3.4Å; W24-S27 PolarHBondContact O-N 3.34Å; W24-S27 VanDerWaalsContact O-N 3.17Å; W24-S27 PolarHBondContact O-OG 2.93Å; K25-S27 PolarHBondContact O-N 3.47Å; S27-Y29 PolarHBondContact O-N 3Å; S27-R30 PolarHBondContact O-N 3.16Å; S27-R30 PolarHBondContact OG-N 2.93Å; S27-L31 PolarHBondContact O-N 3.28Å
28V93.7Very high93.8Very high52 Ų5282.9 Ų82.932%0.31538%0.382SS..Hα-helixtrans-55.6-38.2170.767.30000111.5R30 L31 V32V28-R30 VanDerWaalsContact C-N 3.34Å; V28-R30 PolarHBondContact O-N 3.4Å; V28-L31 PolarHBondContact O-N 3.3Å; V28-L31 VanDerWaalsContact O-N 3.09Å; V28-V32 HydrophobicContact CG2-CG1 4.08Å; V28-V32 WeakPolarHBondContact O-CG1 3.29Å; V28-V32 VanDerWaalsContact O-CG2 3.23Å; V28-V32 WeakPolarHBondContact O-CG2 3.49Å; V28-V32 PolarHBondContact O-N 3.22Å
29Y94.4Very high94.2Very high72 Ų7280.1 Ų80.128%0.28237%0.368SS..Hα-helixtrans-62-42.8-178.8-44.4-67.9000111.7L21 S27 L31 V32 W33 F283L21-Y29 WeakPolarHBondContact O-CE2 3.38Å; L21-Y29 PolarHBondContact O-OH 2.98Å; S27-Y29 PolarHBondContact O-N 3Å; Y29-L31 PolarHBondContact O-N 3.01Å; Y29-V32 PolarHBondContact O-N 2.84Å; Y29-W33 WeakPolarHBondContact O-CB 3.43Å; Y29-W33 PolarHBondContact O-N 3.03Å; Y29-F283 HydrophobicContact CD1-CE1 4.04Å
30R94.2Very high94.5Very high110 Ų11074.5 Ų74.542%0.41535%0.351SS..Hα-helixtrans-66.2-27.3177.4-177.6175.9172.7177.1-5112.5W24 S27 V28 V303W24-R30 HydrophobicContact CD2-CB 4.4Å; W24-R30 HydrophobicContact CH2-CB 4.38Å; W24-R30 HydrophobicContact CZ2-CB 4.01Å; W24-R30 HydrophobicContact CZ2-CG 4.24Å; S27-R30 PolarHBondContact O-N 3.16Å; S27-R30 PolarHBondContact OG-N 2.93Å; V28-R30 VanDerWaalsContact C-N 3.34Å; V28-R30 PolarHBondContact O-N 3.4Å; R30-V303 VanDerWaalsContact CZ-CG2 3.47Å
31L94Very high94.8Very high60 Ų6074.1 Ų74.131%0.31436%0.357SS..Hα-helixtrans-85-29.7179.2-66.7173.5000113.2S27 V28 Y29 K290S27-L31 PolarHBondContact O-N 3.28Å; V28-L31 PolarHBondContact O-N 3.3Å; V28-L31 VanDerWaalsContact O-N 3.09Å; Y29-L31 PolarHBondContact O-N 3.01Å; L31-K290 HydrophobicContact CB-CB 3.99Å; L31-K290 HydrophobicContact CB-CD 4.44Å; L31-K290 HydrophobicContact CB-CG 4Å; L31-K290 HydrophobicContact CD1-CB 4.21Å; L31-K290 VanDerWaalsContact O-CE 3.29Å; L31-K290 WeakPolarHBondContact O-CE 3.43Å
32V96.1Very high95Very high0 Ų073.3 Ų73.30%035%0.352CS..Hα-helixtrans-107.5-6.4-172.6-54.10000114.9V28 Y29 F34 E35 F36 F283 I286 K290V28-V32 HydrophobicContact CG2-CG1 4.08Å; V28-V32 WeakPolarHBondContact O-CG1 3.29Å; V28-V32 VanDerWaalsContact O-CG2 3.23Å; V28-V32 WeakPolarHBondContact O-CG2 3.49Å; V28-V32 PolarHBondContact O-N 3.22Å; Y29-V32 PolarHBondContact O-N 2.84Å; V32-F34 VanDerWaalsContact C-N 3.26Å; V32-F34 PolarHBondContact O-N 2.88Å; V32-E35 PolarHBondContact O-N 3.43Å; V32-F36 WeakPolarHBondContact O-CB 3.03Å; V32-F36 PolarHBondContact O-N 2.84Å; V32-F283 HydrophobicContact CG2-CD1 3.67Å; V32-F283 HydrophobicContact CG2-CE1 3.42Å; V32-F283 VanDerWaalsContact CG2-CE1 3.42Å; V32-I286 HydrophobicContact CB-CG2 4.21Å; V32-I286 HydrophobicContact CG1-CG2 3.79Å; V32-K290 HydrophobicContact CG1-CB 4.39Å; V32-K290 HydrophobicContact CG1-CG 3.73Å
33W95.9Very high95.2Very high137 Ų13765.3 Ų65.352%0.51932%0.317SS..Hα-helixtrans-57.5-38.3-170.472.4-81.7000113Y29 L37Y29-W33 WeakPolarHBondContact O-CB 3.43Å; Y29-W33 PolarHBondContact O-N 3.03Å; W33-L37 HydrophobicContact CE3-CD1 3.6Å; W33-L37 HydrophobicContact CE3-CG 4.46Å; W33-L37 HydrophobicContact CZ3-CD1 3.72Å; W33-L37 WeakPolarHBondContact O-CG 3.46Å; W33-L37 PolarHBondContact O-N 3.35Å
34F96.3Very high95.4Very high119 Ų11965 Ų6552%0.52232%0.321SS..Hα-helixtrans-69.8-51.2-177.3177.9-101.5000110.7V32 F36 L37 V38V32-F34 VanDerWaalsContact C-N 3.26Å; V32-F34 PolarHBondContact O-N 2.88Å; F34-F36 PolarHBondContact O-N 2.68Å; F34-L37 PolarHBondContact O-N 3.36Å; F34-L37 VanDerWaalsContact O-N 3.16Å; F34-V38 HydrophobicContact CD1-CG2 4.46Å; F34-V38 HydrophobicContact CE1-CG2 4.05Å; F34-V38 HydrophobicContact CE2-CG2 4.41Å; F34-V38 HydrophobicContact CZ-CG2 4.02Å; F34-V38 WeakPolarHBondContact O-CG2 3.43Å; F34-V38 PolarHBondContact O-N 3.23Å
35E96.2Very high95.7Very high46 Ų4662.1 Ų62.122%0.21532%0.321CS..Hα-helixtrans-61.3-36.7176.4-65.885.3167.200111.5V32 V38 F39 F282 K290V32-E35 PolarHBondContact O-N 3.43Å; E35-V38 PolarHBondContact O-N 2.92Å; E35-F39 WeakPolarHBondContact O-CB 3.42Å; E35-F39 PolarHBondContact O-N 3.44Å; E35-F282 HydrophobicContact CB-CZ 4Å; E35-K290 WeakPolarHBondContact OE1-CE 3.2Å; E35-K290 IonicContact OE1-NZ 3.86Å; E35-K290 PolarHBondContact OE1-NZ 2.67Å
36F97.3Very high96Very high49 Ų4958.5 Ų58.522%0.21531%0.307CS..Hα-helixtrans-61.4-47.5174.7177.8-99.4000111.4V32 F34 V38 F39 V40 L279 F282 F283V32-F36 WeakPolarHBondContact O-CB 3.03Å; V32-F36 PolarHBondContact O-N 2.84Å; F34-F36 PolarHBondContact O-N 2.68Å; F36-V38 VanDerWaalsContact C-N 3.34Å; F36-V38 PolarHBondContact O-N 2.76Å; F36-F39 PolarHBondContact O-N 3.05Å; F36-V40 HydrophobicContact CD1-CG2 4.33Å; F36-V40 HydrophobicContact CD2-CG2 4.3Å; F36-V40 HydrophobicContact CE1-CG2 3.94Å; F36-V40 HydrophobicContact CE2-CG2 3.92Å; F36-V40 HydrophobicContact CZ-CG2 3.72Å; F36-V40 WeakPolarHBondContact O-CB 3.4Å; F36-V40 WeakPolarHBondContact O-CG2 3.34Å; F36-V40 PolarHBondContact O-N 3.39Å; F36-L279 HydrophobicContact CE2-CB 4.31Å; F36-L279 HydrophobicContact CE2-CD1 4.33Å; F36-L279 HydrophobicContact CE2-CD2 3.93Å; F36-L279 HydrophobicContact CE2-CG 4.41Å; F36-L279 HydrophobicContact CZ-CD1 4.33Å; F36-F282 HydrophobicContact CB-CD1 4.5Å; F36-F282 HydrophobicContact CB-CE1 3.78Å; F36-F282 HydrophobicContact CB-CZ 4.32Å; F36-F282 AromaticContact CD2-CD1 3.91Å; F36-F282 HydrophobicContact CD2-CD1 3.91Å; F36-F282 HydrophobicContact CD2-CE1 4.03Å; F36-F282 HydrophobicContact CG-CE1 4.43Å; F36-F283 AromaticContact CD2-CE2 3.9Å; F36-F283 HydrophobicContact CD2-CE2 3.9Å; F36-F283 AromaticContact CD2-CZ 3.91Å; F36-F283 HydrophobicContact CD2-CZ 3.91Å; F36-F283 AromaticContact CE2-CE2 3.65Å; F36-F283 HydrophobicContact CE2-CE2 3.65Å; F36-F283 HydrophobicContact CE2-CZ 4.01Å; F36-F283 HydrophobicContact CG-CZ 4.29Å; F36-F283 HydrophobicContact CZ-CE2 4.29Å; F36-F283 HydrophobicContact CZ-CZ 4.49Å
37L97.7Very high96.4Very high102 Ų10257.5 Ų57.553%0.53430%0.295SS..Hα-helixtrans-62.7-40.8176.9-74.2179.2000112.1W33 F34 G41W33-L37 HydrophobicContact CE3-CD1 3.6Å; W33-L37 HydrophobicContact CE3-CG 4.46Å; W33-L37 HydrophobicContact CZ3-CD1 3.72Å; W33-L37 WeakPolarHBondContact O-CG 3.46Å; W33-L37 PolarHBondContact O-N 3.35Å; F34-L37 PolarHBondContact O-N 3.36Å; F34-L37 VanDerWaalsContact O-N 3.16Å; L37-G41 PolarHBondContact O-N 3.28Å
38V97.8Very high96.6Very high67 Ų6760.5 Ų60.541%0.40631%0.312SS..Hα-helixtrans-62.7-47.4175.7172.40000110.7F34 E35 F36 G41 I42F34-V38 HydrophobicContact CD1-CG2 4.46Å; F34-V38 HydrophobicContact CE1-CG2 4.05Å; F34-V38 HydrophobicContact CE2-CG2 4.41Å; F34-V38 HydrophobicContact CZ-CG2 4.02Å; F34-V38 WeakPolarHBondContact O-CG2 3.43Å; F34-V38 PolarHBondContact O-N 3.23Å; E35-V38 PolarHBondContact O-N 2.92Å; F36-V38 VanDerWaalsContact C-N 3.34Å; F36-V38 PolarHBondContact O-N 2.76Å; V38-G41 PolarHBondContact O-N 2.79Å; V38-I42 HydrophobicContact CG1-CD1 3.84Å; V38-I42 WeakPolarHBondContact O-CG1 3.28Å; V38-I42 PolarHBondContact O-N 3.48Å
39F97.7Very high96.8Very high13 Ų1360 Ų606%0.05731%0.31CS..Hα-helixtrans-61.3-49.1179.5-176.9-90.2000111.8E35 F36 G41 I42 Y43 F249 C252 L253 W256 L279 F282E35-F39 WeakPolarHBondContact O-CB 3.42Å; E35-F39 PolarHBondContact O-N 3.44Å; F36-F39 PolarHBondContact O-N 3.05Å; F39-G41 VanDerWaalsContact C-N 3.34Å; F39-G41 PolarHBondContact O-N 3.11Å; F39-I42 PolarHBondContact O-N 2.85Å; F39-Y43 VanDerWaalsContact O-CB 3.29Å; F39-Y43 WeakPolarHBondContact O-CB 3.29Å; F39-Y43 PolarHBondContact O-N 2.97Å; F39-F249 HydrophobicContact CD2-CB 4.48Å; F39-F249 HydrophobicContact CE2-CB 4.13Å; F39-F249 AromaticContact CE2-CD1 3.95Å; F39-F249 HydrophobicContact CE2-CD1 3.95Å; F39-F249 HydrophobicContact CE2-CG 4.47Å; F39-F249 HydrophobicContact CZ-CD1 4.36Å; F39-C252 HydrophobicContact CE2-CB 4.39Å; F39-C252 HydrophobicContact CZ-CB 4.21Å; F39-L253 HydrophobicContact CD2-CD2 3.73Å; F39-L253 HydrophobicContact CD2-CG 4.13Å; F39-L253 HydrophobicContact CE1-CD2 4.45Å; F39-L253 HydrophobicContact CE2-CD2 3.58Å; F39-L253 HydrophobicContact CE2-CG 3.72Å; F39-L253 HydrophobicContact CG-CD2 4.24Å; F39-L253 HydrophobicContact CZ-CD2 3.96Å; F39-L253 HydrophobicContact CZ-CG 4.35Å; F39-W256 HydrophobicContact CE1-CE3 4.13Å; F39-W256 AromaticContact CE1-CZ3 3.98Å; F39-W256 HydrophobicContact CE1-CZ3 3.98Å; F39-W256 AromaticContact CZ-CE3 3.79Å; F39-W256 HydrophobicContact CZ-CE3 3.79Å; F39-W256 AromaticContact CZ-CZ3 3.66Å; F39-W256 HydrophobicContact CZ-CZ3 3.66Å; F39-L279 HydrophobicContact CD1-CD2 4.14Å; F39-L279 HydrophobicContact CE1-CD2 4.11Å; F39-F282 HydrophobicContact CB-CD2 4.19Å; F39-F282 HydrophobicContact CB-CE2 3.58Å; F39-F282 HydrophobicContact CB-CZ 4.14Å; F39-F282 HydrophobicContact CD1-CD2 4.03Å; F39-F282 HydrophobicContact CD1-CE2 4.29Å; F39-F282 AromaticContact CD2-CD2 3.98Å; F39-F282 HydrophobicContact CD2-CD2 3.98Å; F39-F282 AromaticContact CD2-CE2 3.87Å; F39-F282 HydrophobicContact CD2-CE2 3.87Å; F39-F282 HydrophobicContact CE1-CD2 4.45Å; F39-F282 HydrophobicContact CE2-CD2 4.4Å; F39-F282 AromaticContact CG-CD2 3.79Å; F39-F282 HydrophobicContact CG-CD2 3.79Å; F39-F282 AromaticContact CG-CE2 3.65Å; F39-F282 HydrophobicContact CG-CE2 3.65Å
40V97.5Very high96.9Very high42 Ų4257 Ų5726%0.25530%0.298SS..Hα-helixtrans-62.2-42.9177.4171.80000110.6F36 I42 Y43 S44 L279F36-V40 HydrophobicContact CD1-CG2 4.33Å; F36-V40 HydrophobicContact CD2-CG2 4.3Å; F36-V40 HydrophobicContact CE1-CG2 3.94Å; F36-V40 HydrophobicContact CE2-CG2 3.92Å; F36-V40 HydrophobicContact CZ-CG2 3.72Å; F36-V40 WeakPolarHBondContact O-CB 3.4Å; F36-V40 WeakPolarHBondContact O-CG2 3.34Å; F36-V40 PolarHBondContact O-N 3.39Å; V40-I42 PolarHBondContact O-N 3.26Å; V40-Y43 PolarHBondContact O-N 2.99Å; V40-S44 WeakPolarHBondContact O-CB 3.47Å; V40-S44 PolarHBondContact O-N 3.29Å; V40-S44 PolarHBondContact O-OG 3.34Å; V40-L279 HydrophobicContact CG2-CD2 3.93Å
41G97.9Very high96.9Very high34 Ų3453.9 Ų53.935%0.35129%0.286SS..Hα-helixtrans-57.8-50.3177.100000112.6L37 V38 F39 S44 V45L37-G41 PolarHBondContact O-N 3.28Å; V38-G41 PolarHBondContact O-N 2.79Å; F39-G41 VanDerWaalsContact C-N 3.34Å; F39-G41 PolarHBondContact O-N 3.11Å; G41-S44 PolarHBondContact O-N 3.33Å; G41-V45 WeakPolarHBondContact O-CG2 3.33Å; G41-V45 PolarHBondContact O-N 2.9Å
42I98Very high97Very high79 Ų7959 Ų5941%0.40531%0.306SS..Hα-helixtrans-65-43.9178.4-62.4167.6000110.7V38 F39 V40 S44 V45 L46 L253V38-I42 HydrophobicContact CG1-CD1 3.84Å; V38-I42 WeakPolarHBondContact O-CG1 3.28Å; V38-I42 PolarHBondContact O-N 3.48Å; F39-I42 PolarHBondContact O-N 2.85Å; V40-I42 PolarHBondContact O-N 3.26Å; I42-S44 VanDerWaalsContact C-N 3.32Å; I42-S44 PolarHBondContact O-N 3Å; I42-V45 PolarHBondContact O-N 3.15Å; I42-L46 HydrophobicContact CG2-CD1 4.15Å; I42-L46 HydrophobicContact CG2-CG 4.47Å; I42-L46 WeakPolarHBondContact O-CG 3.43Å; I42-L46 PolarHBondContact O-N 3.41Å; I42-L253 HydrophobicContact CB-CD1 4.44Å; I42-L253 HydrophobicContact CB-CD2 4.09Å; I42-L253 HydrophobicContact CG2-CD1 3.81Å; I42-L253 HydrophobicContact CG2-CD2 3.99Å; I42-L253 HydrophobicContact CG2-CG 4.47Å
43Y97.9Very high97Very high8 Ų864.8 Ų64.83%0.03134%0.336CS..Hα-helixtrans-57.3-46.4176.9178.9-87.6000111.7F39 V40 L46 S47 W256 Q257 P275F39-Y43 VanDerWaalsContact O-CB 3.29Å; F39-Y43 WeakPolarHBondContact O-CB 3.29Å; F39-Y43 PolarHBondContact O-N 2.97Å; V40-Y43 PolarHBondContact O-N 2.99Å; Y43-L46 PolarHBondContact O-N 2.98Å; Y43-S47 PolarHBondContact O-N 2.91Å; Y43-W256 HydrophobicContact CE2-CB 4.08Å; Y43-W256 VanDerWaalsContact CE2-O 3.3Å; Y43-W256 WeakPolarHBondContact CE2-O 3.34Å; Y43-W256 PolarHBondContact OH-O 3.38Å; Y43-Q257 VanDerWaalsContact CD2-NE2 3.27Å; Y43-Q257 HydrophobicContact CE2-CG 4.34Å; Y43-Q257 PolarHBondContact O-NE2 2.89Å; Y43-Q257 VanDerWaalsContact O-NE2 3.15Å; Y43-P275 HydrophobicContact CD1-CG 4.38Å; Y43-P275 HydrophobicContact CD2-CG 4.3Å; Y43-P275 VanDerWaalsContact CE1-CD 3.46Å; Y43-P275 HydrophobicContact CE1-CG 3.89Å; Y43-P275 HydrophobicContact CE2-CB 4.48Å; Y43-P275 HydrophobicContact CE2-CG 3.78Å
44S97.1Very high97Very high57 Ų5760 Ų6040%0.39932%0.32SS..Hα-helixtrans-63.4-42.6178.3-67.30000111.8V40 G41 I42 L46 S47 V48V40-S44 WeakPolarHBondContact O-CB 3.47Å; V40-S44 PolarHBondContact O-N 3.29Å; V40-S44 PolarHBondContact O-OG 3.34Å; G41-S44 PolarHBondContact O-N 3.33Å; I42-S44 VanDerWaalsContact C-N 3.32Å; I42-S44 PolarHBondContact O-N 3Å; S44-L46 PolarHBondContact O-N 2.7Å; S44-S47 PolarHBondContact O-N 3.34Å; S44-V48 WeakPolarHBondContact O-CB 3.29Å; S44-V48 VanDerWaalsContact O-CG2 3.29Å; S44-V48 WeakPolarHBondContact O-CG2 3.31Å; S44-V48 PolarHBondContact O-N 2.84Å
45V97.8Very high96.9Very high94 Ų9457.3 Ų57.357%0.5732%0.316SS*.Hα-helixtrans-60.5-45.1175.7169.10000111.1G41 I42 T49G41-V45 WeakPolarHBondContact O-CG2 3.33Å; G41-V45 PolarHBondContact O-N 2.9Å; I42-V45 PolarHBondContact O-N 3.15Å; V45-T49 VanDerWaalsContact O-CB 3.29Å; V45-T49 WeakPolarHBondContact O-CB 3.37Å; V45-T49 PolarHBondContact O-N 2.91Å; V45-T49 PolarHBondContact O-OG1 3.09Å
46L97.5Very high96.8Very high45 Ų4559.2 Ų59.224%0.23634%0.34CS..Hα-helixtrans-61.7-44176.2-72.1172.3000111.6I42 Y43 S44 T49 Y50 L253 L254I42-L46 HydrophobicContact CG2-CD1 4.15Å; I42-L46 HydrophobicContact CG2-CG 4.47Å; I42-L46 WeakPolarHBondContact O-CG 3.43Å; I42-L46 PolarHBondContact O-N 3.41Å; Y43-L46 PolarHBondContact O-N 2.98Å; S44-L46 PolarHBondContact O-N 2.7Å; L46-T49 PolarHBondContact O-N 3.22Å; L46-Y50 WeakPolarHBondContact O-CB 3.45Å; L46-Y50 PolarHBondContact O-N 3.14Å; L46-L253 HydrophobicContact CD1-CB 4.01Å; L46-L254 HydrophobicContact CD1-CD2 4.3Å
47S96.4Very high96.6Very high9 Ų961.5 Ų61.56%0.06336%0.358CS..Hα-helixtrans-65.1-45179.6-162.80000112.3Y43 S44 T49 Y50 R51 Q257Y43-S47 PolarHBondContact O-N 2.91Å; S44-S47 PolarHBondContact O-N 3.34Å; S47-T49 VanDerWaalsContact C-N 3.33Å; S47-T49 PolarHBondContact O-N 3.24Å; S47-Y50 PolarHBondContact O-N 2.94Å; S47-R51 WeakPolarHBondContact O-CB 3.48Å; S47-R51 VanDerWaalsContact O-CG 3.25Å; S47-R51 WeakPolarHBondContact O-CG 3.3Å; S47-R51 PolarHBondContact O-N 3.15Å; S47-R51 PolarHBondContact OG-NE 3.42Å; S47-Q257 VanDerWaalsContact CA-OE1 3.23Å; S47-Q257 VanDerWaalsContact CB-OE1 3.27Å
48V97.2Very high96.5Very high75 Ų7561 Ų6146%0.45536%0.356SS..Hα-helixtrans-62.2-42.6176168.90000110.5S44 R51 F52S44-V48 WeakPolarHBondContact O-CB 3.29Å; S44-V48 VanDerWaalsContact O-CG2 3.29Å; S44-V48 WeakPolarHBondContact O-CG2 3.31Å; S44-V48 PolarHBondContact O-N 2.84Å; V48-R51 PolarHBondContact O-N 3.28Å; V48-F52 HydrophobicContact CG1-CD2 3.99Å; V48-F52 WeakPolarHBondContact O-CD2 3.34Å; V48-F52 PolarHBondContact O-N 3.38Å
49T97.3Very high96.4Very high43 Ų4360.4 Ų60.426%0.26435%0.347SS..Iπ-helixtrans-61.6-47.6177.4-57.80000111V45 L46 S47 R51 I53 L54V45-T49 VanDerWaalsContact O-CB 3.29Å; V45-T49 WeakPolarHBondContact O-CB 3.37Å; V45-T49 PolarHBondContact O-N 2.91Å; V45-T49 PolarHBondContact O-OG1 3.09Å; L46-T49 PolarHBondContact O-N 3.22Å; S47-T49 VanDerWaalsContact C-N 3.33Å; S47-T49 PolarHBondContact O-N 3.24Å; T49-R51 VanDerWaalsContact C-N 3.33Å; T49-R51 PolarHBondContact O-N 2.89Å; T49-I53 HydrophobicContact CG2-CB 4.13Å; T49-I53 HydrophobicContact CG2-CD1 4.32Å; T49-I53 HydrophobicContact CG2-CG2 4.49Å; T49-I53 WeakPolarHBondContact O-CB 3.41Å; T49-I53 PolarHBondContact O-N 3.13Å; T49-L54 HydrophobicContact CG2-CD2 4.22Å; T49-L54 HydrophobicContact CG2-CG 4.24Å; T49-L54 PolarHBondContact O-N 3.21Å
50Y96.9Very high96.3Very high7 Ų765.4 Ų65.43%0.02737%0.366CS..Iπ-helixtrans-58.8-42176.2169.1-113.4000112.7L46 S47 L54 K59 F62 E63 Y258 D260L46-Y50 WeakPolarHBondContact O-CB 3.45Å; L46-Y50 PolarHBondContact O-N 3.14Å; S47-Y50 PolarHBondContact O-N 2.94Å; Y50-L54 HydrophobicContact CD2-CD1 4.29Å; Y50-K59 HydrophobicContact CD2-CB 4.4Å; Y50-K59 HydrophobicContact CD2-CG 4.08Å; Y50-K59 HydrophobicContact CE2-CB 3.92Å; Y50-K59 HydrophobicContact CE2-CD 4.18Å; Y50-K59 HydrophobicContact CE2-CG 3.94Å; Y50-K59 WeakPolarHBondContact O-CE 3.27Å; Y50-K59 PolarHBondContact O-NZ 3.47Å; Y50-K59 VanDerWaalsContact O-NZ 3.13Å; Y50-F62 HydrophobicContact CD1-CE1 4.47Å; Y50-F62 HydrophobicContact CD2-CB 4.42Å; Y50-F62 AromaticContact CD2-CD1 3.32Å; Y50-F62 HydrophobicContact CD2-CD1 3.32Å; Y50-F62 AromaticContact CD2-CE1 3.78Å; Y50-F62 HydrophobicContact CD2-CE1 3.78Å; Y50-F62 HydrophobicContact CD2-CG 4.08Å; Y50-F62 AromaticContact CE2-CD1 3.95Å; Y50-F62 HydrophobicContact CE2-CD1 3.95Å; Y50-F62 AromaticContact CG-CD1 3.78Å; Y50-F62 HydrophobicContact CG-CD1 3.78Å; Y50-F62 AromaticContact CG-CE1 3.72Å; Y50-F62 HydrophobicContact CG-CE1 3.72Å; Y50-E63 HydrophobicContact CE2-CG 3.91Å; Y50-E63 WeakPolarHBondContact CE2-OE1 3.12Å; Y50-E63 PolarHBondContact OH-OE1 3.24Å; Y50-Y258 WeakPolarHBondContact CE1-O 3.48Å; Y50-D260 WeakPolarHBondContact OH-CB 3.47Å; Y50-D260 PolarHBondContact OH-N 3.48Å
51R94.3Very high96.2Very high46 Ų4671 Ų7117%0.17438%0.383CS..Iπ-helixtrans-74.7-47.6-175.7-70.2170.6-170.1-87.71.3112.7S47 V48 T49 K59 D271 Y273S47-R51 WeakPolarHBondContact O-CB 3.48Å; S47-R51 VanDerWaalsContact O-CG 3.25Å; S47-R51 WeakPolarHBondContact O-CG 3.3Å; S47-R51 PolarHBondContact O-N 3.15Å; S47-R51 PolarHBondContact OG-NE 3.42Å; V48-R51 PolarHBondContact O-N 3.28Å; T49-R51 VanDerWaalsContact C-N 3.33Å; T49-R51 PolarHBondContact O-N 2.89Å; R51-K59 PolarHBondContact O-NZ 3Å; R51-D271 IonicContact CZ-OD1 3.82Å; R51-D271 IonicContact CZ-OD2 3.2Å; R51-D271 IonicContact NH1-OD1 3.96Å; R51-D271 IonicContact NH1-OD2 2.68Å; R51-D271 PolarHBondContact NH1-OD2 3.19Å; R51-D271 IonicContact NH2-OD1 2.78Å; R51-D271 PolarHBondContact NH2-OD1 3.46Å; R51-D271 IonicContact NH2-OD2 2.85Å; R51-D271 PolarHBondContact NH2-OD2 2.96Å; R51-Y273 VanDerWaalsContact NH2-CD1 3.33Å
52F95.9Very high96.2Very high166 Ų16670.5 Ų70.573%0.72837%0.372SS*.Iπ-helixtrans-111.6-22.7-165-57.5-70.6000115V48V48-F52 HydrophobicContact CG1-CD2 3.99Å; V48-F52 WeakPolarHBondContact O-CD2 3.34Å; V48-F52 PolarHBondContact O-N 3.38Å
53I95.9Very high96.1Very high122 Ų12266.9 Ų66.963%0.62635%0.353SS*.Iπ-helixtrans-105.2-43.3-171.2-55.6179.4000111.4T49 S55T49-I53 HydrophobicContact CG2-CB 4.13Å; T49-I53 HydrophobicContact CG2-CD1 4.32Å; T49-I53 HydrophobicContact CG2-CG2 4.49Å; T49-I53 WeakPolarHBondContact O-CB 3.41Å; T49-I53 PolarHBondContact O-N 3.13Å; I53-S55 PolarHBondContact O-N 3.41Å
54L95.8Very high96Very high37 Ų3770.9 Ų70.919%0.19437%0.374CS..SBendtrans-67.4133.5-175.1-65.5-174.2000112.2T49 Y50 L58 K59 F62T49-L54 HydrophobicContact CG2-CD2 4.22Å; T49-L54 HydrophobicContact CG2-CG 4.24Å; T49-L54 PolarHBondContact O-N 3.21Å; Y50-L54 HydrophobicContact CD2-CD1 4.29Å; L54-L58 HydrophobicContact CB-CB 4.17Å; L54-L58 HydrophobicContact CD2-CB 4.05Å; L54-L58 HydrophobicContact CD2-CD1 4.3Å; L54-K59 HydrophobicContact CB-CG 3.63Å; L54-K59 WeakPolarHBondContact O-CE 3.38Å; L54-F62 HydrophobicContact CD1-CB 3.8Å; L54-F62 HydrophobicContact CD1-CD2 4.14Å; L54-F62 HydrophobicContact CD1-CG 3.96Å
55S95.1Very high96Very high62 Ų6272 Ų7243%0.43438%0.376SS..  trans-68.6162.1170.369.70000111.4I53 T57 L58 K59I53-S55 PolarHBondContact O-N 3.41Å; S55-T57 PolarHBondContact O-N 3.15Å; S55-T57 VanDerWaalsContact O-N 3.16Å; S55-L58 PolarHBondContact O-N 3.25Å; S55-K59 WeakPolarHBondContact O-CG 3.34Å; S55-K59 PolarHBondContact O-N 3.38Å
56A93.2Very high95.9Very high87 Ų8767.6 Ų67.672%0.71935%0.349SS*.Hα-helixtrans-53.6-39.8-177.200000113.4R60A56-R60 PolarHBondContact O-N 2.83Å
57T94.2Very high95.8Very high97 Ų9768.1 Ų68.160%0.59535%0.351SS*.Hα-helixtrans-67.3-45.4176.8-47.90000111.7S55 R60 Y61S55-T57 PolarHBondContact O-N 3.15Å; S55-T57 VanDerWaalsContact O-N 3.16Å; T57-R60 WeakPolarHBondContact O-CB 3.49Å; T57-R60 PolarHBondContact O-N 2.91Å; T57-Y61 HydrophobicContact CG2-CD2 4.35Å; T57-Y61 HydrophobicContact CG2-CE2 3.92Å; T57-Y61 VanDerWaalsContact O-CD2 3.28Å; T57-Y61 WeakPolarHBondContact O-CD2 3.27Å; T57-Y61 PolarHBondContact O-N 2.96Å
58L95.7Very high95.7Very high92 Ų9274.2 Ų74.248%0.48237%0.374SS..Hα-helixtrans-67.5-36179-74.2167.2000112.3L54 S55 R60 Y61 F62L54-L58 HydrophobicContact CB-CB 4.17Å; L54-L58 HydrophobicContact CD2-CB 4.05Å; L54-L58 HydrophobicContact CD2-CD1 4.3Å; S55-L58 PolarHBondContact O-N 3.25Å; L58-R60 VanDerWaalsContact C-N 3.28Å; L58-R60 PolarHBondContact O-N 3.01Å; L58-Y61 PolarHBondContact O-N 3.26Å; L58-F62 WeakPolarHBondContact O-CB 3.33Å; L58-F62 PolarHBondContact O-N 3.08Å
59K96.1Very high95.6Very high53 Ų5371.3 Ų71.323%0.2336%0.357CS..Hα-helixtrans-57.3-42.9173.1-73.2-169.1-171.4-150.80111.5Y50 R51 L54 S55 Y61 F62 E63Y50-K59 HydrophobicContact CD2-CB 4.4Å; Y50-K59 HydrophobicContact CD2-CG 4.08Å; Y50-K59 HydrophobicContact CE2-CB 3.92Å; Y50-K59 HydrophobicContact CE2-CD 4.18Å; Y50-K59 HydrophobicContact CE2-CG 3.94Å; Y50-K59 WeakPolarHBondContact O-CE 3.27Å; Y50-K59 PolarHBondContact O-NZ 3.47Å; Y50-K59 VanDerWaalsContact O-NZ 3.13Å; R51-K59 PolarHBondContact O-NZ 3Å; L54-K59 HydrophobicContact CB-CG 3.63Å; L54-K59 WeakPolarHBondContact O-CE 3.38Å; S55-K59 WeakPolarHBondContact O-CG 3.34Å; S55-K59 PolarHBondContact O-N 3.38Å; K59-Y61 PolarHBondContact O-N 3.37Å; K59-F62 PolarHBondContact O-N 3.37Å; K59-E63 WeakPolarHBondContact O-CB 3.32Å; K59-E63 VanDerWaalsContact O-CD 3.31Å; K59-E63 WeakPolarHBondContact O-CG 3.48Å; K59-E63 PolarHBondContact O-N 3.26Å
60R94.6Very high95.4Very high119 Ų11970.3 Ų70.345%0.44936%0.355SS..Hα-helixtrans-61-41.8177.6-165.672.6171170.6-0.9112.4A56 T57 L58 L64 Y265A56-R60 PolarHBondContact O-N 2.83Å; T57-R60 WeakPolarHBondContact O-CB 3.49Å; T57-R60 PolarHBondContact O-N 2.91Å; L58-R60 VanDerWaalsContact C-N 3.28Å; L58-R60 PolarHBondContact O-N 3.01Å; R60-L64 WeakPolarHBondContact O-CG 3.23Å; R60-L64 PolarHBondContact O-N 3.1Å; R60-L64 VanDerWaalsContact O-N 3.13Å; R60-Y265 VanDerWaalsContact CZ-OH 3.27Å; R60-Y265 PolarHBondContact NH1-OH 3.46Å
61Y96.1Very high95.1Very high158 Ų15879.3 Ų79.362%0.6239%0.389SS*.Hα-helixtrans-68.3-40.4175.5-74.4-67.9000112.3T57 L58 K59 L64 L65T57-Y61 HydrophobicContact CG2-CD2 4.35Å; T57-Y61 HydrophobicContact CG2-CE2 3.92Å; T57-Y61 VanDerWaalsContact O-CD2 3.28Å; T57-Y61 WeakPolarHBondContact O-CD2 3.27Å; T57-Y61 PolarHBondContact O-N 2.96Å; L58-Y61 PolarHBondContact O-N 3.26Å; K59-Y61 PolarHBondContact O-N 3.37Å; Y61-L64 PolarHBondContact O-N 3.21Å; Y61-L65 WeakPolarHBondContact O-CB 3.46Å; Y61-L65 PolarHBondContact O-N 3.21Å
62F97Very high94.9Very high25 Ų2582.9 Ų82.911%0.1140%0.404CS..Hα-helixtrans-62.2-45.1175.8-176.9-92.9000111.8Y50 L54 L58 K59 L64 L65 C66 L254 Q257Y50-F62 HydrophobicContact CD1-CE1 4.47Å; Y50-F62 HydrophobicContact CD2-CB 4.42Å; Y50-F62 AromaticContact CD2-CD1 3.32Å; Y50-F62 HydrophobicContact CD2-CD1 3.32Å; Y50-F62 AromaticContact CD2-CE1 3.78Å; Y50-F62 HydrophobicContact CD2-CE1 3.78Å; Y50-F62 HydrophobicContact CD2-CG 4.08Å; Y50-F62 AromaticContact CE2-CD1 3.95Å; Y50-F62 HydrophobicContact CE2-CD1 3.95Å; Y50-F62 AromaticContact CG-CD1 3.78Å; Y50-F62 HydrophobicContact CG-CD1 3.78Å; Y50-F62 AromaticContact CG-CE1 3.72Å; Y50-F62 HydrophobicContact CG-CE1 3.72Å; L54-F62 HydrophobicContact CD1-CB 3.8Å; L54-F62 HydrophobicContact CD1-CD2 4.14Å; L54-F62 HydrophobicContact CD1-CG 3.96Å; L58-F62 WeakPolarHBondContact O-CB 3.33Å; L58-F62 PolarHBondContact O-N 3.08Å; K59-F62 PolarHBondContact O-N 3.37Å; F62-L64 PolarHBondContact O-N 3.04Å; F62-L65 PolarHBondContact O-N 3.37Å; F62-C66 WeakPolarHBondContact CE1-SG 3.46Å; F62-C66 PolarHBondContact O-N 2.95Å; F62-C66 PolarHBondContact O-SG 2.75Å; F62-L254 HydrophobicContact CE2-CD2 3.96Å; F62-L254 HydrophobicContact CZ-CD2 4.38Å; F62-Q257 HydrophobicContact CE1-CB 4.1Å; F62-Q257 HydrophobicContact CE1-CG 4.14Å; F62-Q257 HydrophobicContact CZ-CB 4.35Å; F62-Q257 HydrophobicContact CZ-CG 3.87Å
63E96.7Very high94.7Very high2 Ų275.1 Ų75.11%0.00937%0.37CS..Hα-helixtrans-56.6-48.5174.9-74.2156-16700111.2Y50 K59 L65 C66 I67 L259 Y265Y50-E63 HydrophobicContact CE2-CG 3.91Å; Y50-E63 WeakPolarHBondContact CE2-OE1 3.12Å; Y50-E63 PolarHBondContact OH-OE1 3.24Å; K59-E63 WeakPolarHBondContact O-CB 3.32Å; K59-E63 VanDerWaalsContact O-CD 3.31Å; K59-E63 WeakPolarHBondContact O-CG 3.48Å; K59-E63 PolarHBondContact O-N 3.26Å; E63-L65 VanDerWaalsContact C-N 3.33Å; E63-L65 PolarHBondContact O-N 3.48Å; E63-C66 PolarHBondContact O-N 3.09Å; E63-I67 WeakPolarHBondContact O-CD1 3.43Å; E63-I67 VanDerWaalsContact O-CG1 3.27Å; E63-I67 WeakPolarHBondContact O-CG1 3.33Å; E63-I67 PolarHBondContact O-N 2.89Å; E63-L259 HydrophobicContact CB-CD1 4.16Å; E63-L259 HydrophobicContact CB-CD2 4.42Å; E63-L259 HydrophobicContact CG-CB 4.4Å; E63-L259 HydrophobicContact CG-CD1 4.22Å; E63-L259 HydrophobicContact CG-CD2 3.94Å; E63-L259 HydrophobicContact CG-CG 4.41Å; E63-Y265 HydrophobicContact CB-CE2 3.94Å; E63-Y265 HydrophobicContact CG-CE2 4.03Å; E63-Y265 WeakPolarHBondContact OE2-CE2 3.34Å; E63-Y265 PolarHBondContact OE2-OH 3.12Å; E63-Y265 VanDerWaalsContact OE2-OH 3.05Å
64L95.5Very high94Very high92 Ų9277 Ų7748%0.48238%0.376SS..Hα-helixtrans-61.2-40.3176.7-73.3167.1000112.3R60 Y61 F62 Y68R60-L64 WeakPolarHBondContact O-CG 3.23Å; R60-L64 PolarHBondContact O-N 3.1Å; R60-L64 VanDerWaalsContact O-N 3.13Å; Y61-L64 PolarHBondContact O-N 3.21Å; F62-L64 PolarHBondContact O-N 3.04Å; L64-Y68 WeakPolarHBondContact O-CB 3.21Å; L64-Y68 PolarHBondContact O-N 2.88Å
65L96.2Very high93.5Very high82 Ų8279.9 Ų79.943%0.42940%0.395SS..Hα-helixtrans-65.8-42.5176.9-177.564.2000111.7Y61 F62 E63 Y68 C69 L254Y61-L65 WeakPolarHBondContact O-CB 3.46Å; Y61-L65 PolarHBondContact O-N 3.21Å; F62-L65 PolarHBondContact O-N 3.37Å; E63-L65 VanDerWaalsContact C-N 3.33Å; E63-L65 PolarHBondContact O-N 3.48Å; L65-Y68 WeakPolarHBondContact O-CB 3.36Å; L65-Y68 PolarHBondContact O-N 3.47Å; L65-C69 WeakPolarHBondContact O-CB 3.43Å; L65-C69 PolarHBondContact O-N 3.42Å; L65-C69 PolarHBondContact O-SG 3.34Å; L65-C69 VanDerWaalsContact O-SG 3.37Å; L65-L254 HydrophobicContact CD2-CD1 3.94Å; L65-L254 HydrophobicContact CG-CD1 4.13Å
66C96.3Very high93.1Very high0 Ų079.6 Ų79.60%039%0.391CS..Hα-helixtrans-62.2-45.3177.2-64.40000111.2F62 E63 Y68 C69 G70 L254 L259F62-C66 WeakPolarHBondContact CE1-SG 3.46Å; F62-C66 PolarHBondContact O-N 2.95Å; F62-C66 PolarHBondContact O-SG 2.75Å; E63-C66 PolarHBondContact O-N 3.09Å; C66-Y68 VanDerWaalsContact C-N 3.33Å; C66-Y68 PolarHBondContact O-N 2.96Å; C66-C69 PolarHBondContact O-N 2.98Å; C66-G70 PolarHBondContact O-N 2.97Å; C66-L254 WeakPolarHBondContact CB-O 3.45Å; C66-L254 PolarHBondContact SG-O 2.88Å; C66-L259 HydrophobicContact CB-CD1 4.48Å; C66-L259 HydrophobicContact CB-CD2 4.05Å
67I95.1Very high93Very high57 Ų5779.4 Ų79.429%0.29238%0.382SS..Hα-helixtrans-62-42.6176.2-65.6164.1000110.7E63 G70 R71 L259 Y265E63-I67 WeakPolarHBondContact O-CD1 3.43Å; E63-I67 VanDerWaalsContact O-CG1 3.27Å; E63-I67 WeakPolarHBondContact O-CG1 3.33Å; E63-I67 PolarHBondContact O-N 2.89Å; I67-G70 PolarHBondContact O-N 3.42Å; I67-R71 PolarHBondContact O-N 2.83Å; I67-R71 VanDerWaalsContact O-N 3.08Å; I67-L259 HydrophobicContact CD1-CD1 4.14Å; I67-L259 HydrophobicContact CG1-CD1 3.93Å; I67-Y265 HydrophobicContact CD1-CD1 3.48Å; I67-Y265 VanDerWaalsContact CD1-CD1 3.48Å; I67-Y265 HydrophobicContact CD1-CD2 4.39Å; I67-Y265 HydrophobicContact CD1-CE1 3.73Å; I67-Y265 HydrophobicContact CD1-CG 3.82Å
68Y94.8Very high93Very high136 Ų13674.9 Ų74.953%0.53336%0.355SS..Hα-helixtrans-59.7-50.8175.7179.8-92.6000111.2L64 L65 C66 G70 R71 Y72L64-Y68 WeakPolarHBondContact O-CB 3.21Å; L64-Y68 PolarHBondContact O-N 2.88Å; L65-Y68 WeakPolarHBondContact O-CB 3.36Å; L65-Y68 PolarHBondContact O-N 3.47Å; C66-Y68 VanDerWaalsContact C-N 3.33Å; C66-Y68 PolarHBondContact O-N 2.96Å; Y68-G70 VanDerWaalsContact C-N 3.31Å; Y68-G70 PolarHBondContact O-N 3.5Å; Y68-R71 PolarHBondContact O-N 3.21Å; Y68-Y72 HydrophobicContact CD1-CD2 4.27Å; Y68-Y72 HydrophobicContact CD2-CD2 4.28Å; Y68-Y72 AromaticContact CD2-CE2 3.88Å; Y68-Y72 HydrophobicContact CD2-CE2 3.88Å; Y68-Y72 AromaticContact CE1-CD2 3.92Å; Y68-Y72 HydrophobicContact CE1-CD2 3.92Å; Y68-Y72 HydrophobicContact CE1-CE2 4.03Å; Y68-Y72 AromaticContact CE2-CD2 3.95Å; Y68-Y72 HydrophobicContact CE2-CD2 3.95Å; Y68-Y72 AromaticContact CE2-CE2 3.29Å; Y68-Y72 HydrophobicContact CE2-CE2 3.29Å; Y68-Y72 HydrophobicContact CG-CD2 4.43Å; Y68-Y72 HydrophobicContact CG-CE2 4.47Å; Y68-Y72 AromaticContact CZ-CD2 3.73Å; Y68-Y72 AromaticContact CZ-CE2 3.35Å; Y68-Y72 WeakPolarHBondContact O-CD2 3.32Å; Y68-Y72 PolarHBondContact O-N 2.98Å
69C95.6Very high92.9Very high14 Ų1472.6 Ų72.610%0.09535%0.349CS..Hα-helixtrans-59.5-41.6176.4-70.70000111.8L65 C66 R71 Y72 N73 L254 A255L65-C69 WeakPolarHBondContact O-CB 3.43Å; L65-C69 PolarHBondContact O-N 3.42Å; L65-C69 PolarHBondContact O-SG 3.34Å; L65-C69 VanDerWaalsContact O-SG 3.37Å; C66-C69 PolarHBondContact O-N 2.98Å; C69-R71 PolarHBondContact O-N 3.47Å; C69-Y72 PolarHBondContact O-N 3.4Å; C69-N73 VanDerWaalsContact O-CB 3.24Å; C69-N73 WeakPolarHBondContact O-CB 3.03Å; C69-N73 PolarHBondContact O-N 3.16Å; C69-L254 HydrophobicContact CB-CB 4.13Å; C69-A255 HydrophobicContact CB-CB 4.11Å
70G92.8Very high92.8Very high23 Ų2376.4 Ų76.424%0.23737%0.366CS..Hα-helixtrans-57.1-45.8177.500000112.9C66 I67 Y68 Y72 N73C66-G70 PolarHBondContact O-N 2.97Å; I67-G70 PolarHBondContact O-N 3.42Å; Y68-G70 VanDerWaalsContact C-N 3.31Å; Y68-G70 PolarHBondContact O-N 3.5Å; G70-Y72 PolarHBondContact O-N 3.17Å; G70-N73 PolarHBondContact O-N 3.41Å
71R91.4Very high92.8Very high195 Ų19572.6 Ų72.674%0.73636%0.355SS*.Hα-helixtrans-61.9-42.3179.4-175.9175.3179.41581.1113.3I67 Y68 C69I67-R71 PolarHBondContact O-N 2.83Å; I67-R71 VanDerWaalsContact O-N 3.08Å; Y68-R71 PolarHBondContact O-N 3.21Å; C69-R71 PolarHBondContact O-N 3.47Å
72Y89.6Confident92.7Very high121 Ų12165 Ų6548%0.47533%0.326SS..Hα-helixtrans-80.9-27.4-179.1-76.1-82000112.9Y68 C69 G70 E74 T75Y68-Y72 HydrophobicContact CD1-CD2 4.27Å; Y68-Y72 HydrophobicContact CD2-CD2 4.28Å; Y68-Y72 AromaticContact CD2-CE2 3.88Å; Y68-Y72 HydrophobicContact CD2-CE2 3.88Å; Y68-Y72 AromaticContact CE1-CD2 3.92Å; Y68-Y72 HydrophobicContact CE1-CD2 3.92Å; Y68-Y72 HydrophobicContact CE1-CE2 4.03Å; Y68-Y72 AromaticContact CE2-CD2 3.95Å; Y68-Y72 HydrophobicContact CE2-CD2 3.95Å; Y68-Y72 AromaticContact CE2-CE2 3.29Å; Y68-Y72 HydrophobicContact CE2-CE2 3.29Å; Y68-Y72 HydrophobicContact CG-CD2 4.43Å; Y68-Y72 HydrophobicContact CG-CE2 4.47Å; Y68-Y72 AromaticContact CZ-CD2 3.73Å; Y68-Y72 AromaticContact CZ-CE2 3.35Å; Y68-Y72 WeakPolarHBondContact O-CD2 3.32Å; Y68-Y72 PolarHBondContact O-N 2.98Å; C69-Y72 PolarHBondContact O-N 3.4Å; G70-Y72 PolarHBondContact O-N 3.17Å; Y72-E74 PolarHBondContact O-N 3.22Å; Y72-T75 PolarHBondContact O-N 3.24Å; Y72-T75 PolarHBondContact O-OG1 3.36Å
73N90.2Very high92.7Very high4 Ų464.6 Ų64.62%0.02133%0.328CS..Hα-helixtrans-57-38.6179.1-169.6-83.6000112.3C69 G70 T75 V76 Y248 T251 C252 A255C69-N73 VanDerWaalsContact O-CB 3.24Å; C69-N73 WeakPolarHBondContact O-CB 3.03Å; C69-N73 PolarHBondContact O-N 3.16Å; G70-N73 PolarHBondContact O-N 3.41Å; N73-T75 PolarHBondContact O-N 2.72Å; N73-V76 PolarHBondContact O-N 3.43Å; N73-Y248 VanDerWaalsContact CG-CE2 3.41Å; N73-Y248 PolarHBondContact ND2-O 3.15Å; N73-Y248 WeakPolarHBondContact O-CE2 3.24Å; N73-Y248 WeakPolarHBondContact OD1-CE2 3.27Å; N73-Y248 PolarHBondContact OD1-OH 2.8Å; N73-T251 PolarHBondContact ND2-OG1 3.41Å; N73-C252 PolarHBondContact ND2-SG 3.46Å; N73-A255 HydrophobicContact CB-CB 4.49Å
74E82Confident92.7Very high160 Ų16070 Ų7075%0.74835%0.352SS*.THydrogen-bonded Turntrans-68.4-19.9178.9-64.3-172.7163.800113.9Y72Y72-E74 PolarHBondContact O-N 3.22Å
75T86.5Confident92.8Very high98 Ų9866 Ų6660%0.60133%0.33SS*.THydrogen-bonded Turntrans-84.3-15.5-178.465.80000113.7Y72 N73 P77Y72-T75 PolarHBondContact O-N 3.24Å; Y72-T75 PolarHBondContact O-OG1 3.36Å; N73-T75 PolarHBondContact O-N 2.72Å; T75-P77 WeakPolarHBondContact O-CD 3.32Å
76V86.1Confident92.9Very high56 Ų5662.4 Ų62.434%0.33931%0.312SS..  trans-77.6118.4-174.6-172.20000110.2N73 V78 Y248N73-V76 PolarHBondContact O-N 3.43Å; V76-V78 HydrophobicContact CB-CG2 4.16Å; V76-V78 HydrophobicContact CG1-CG2 3.58Å; V76-V78 PolarHBondContact O-N 3.35Å; V76-Y248 HydrophobicContact CB-CD2 4.1Å; V76-Y248 HydrophobicContact CG1-CD2 4.49Å; V76-Y248 HydrophobicContact CG2-CD2 4.48Å
77P91.2Very high93Very high84 Ų8466 Ų6655%0.54534%0.337SS..  trans-82.754.1-175.535.7-37.1000112.3T75 A79 F80 V81T75-P77 WeakPolarHBondContact O-CD 3.32Å; P77-A79 VanDerWaalsContact C-N 3.29Å; P77-A79 PolarHBondContact O-N 2.86Å; P77-F80 HydrophobicContact CB-CB 4.33Å; P77-F80 WeakPolarHBondContact O-CB 3.23Å; P77-F80 PolarHBondContact O-N 3.27Å; P77-F80 VanDerWaalsContact O-N 3.14Å; P77-V81 PolarHBondContact O-N 3.06Å
78V93.6Very high93.1Very high2 Ų266.1 Ų66.11%0.01234%0.338CS..Hα-helixtrans-56.9-43.3-174.9-176.60000111.6V76 F80 V81 L82 V245 Y248 Y285V76-V78 HydrophobicContact CB-CG2 4.16Å; V76-V78 HydrophobicContact CG1-CG2 3.58Å; V76-V78 PolarHBondContact O-N 3.35Å; V78-F80 VanDerWaalsContact C-N 3.25Å; V78-F80 PolarHBondContact O-N 2.9Å; V78-V81 PolarHBondContact O-N 2.85Å; V78-L82 VanDerWaalsContact O-CB 3.22Å; V78-L82 WeakPolarHBondContact O-CB 3.11Å; V78-L82 PolarHBondContact O-N 3.33Å; V78-V245 HydrophobicContact CG1-CG2 3.85Å; V78-Y248 HydrophobicContact CG2-CD1 4.2Å; V78-Y248 HydrophobicContact CG2-CD2 3.65Å; V78-Y248 HydrophobicContact CG2-CE2 4.37Å; V78-Y248 HydrophobicContact CG2-CG 3.56Å; V78-Y285 HydrophobicContact CB-CD1 4.25Å; V78-Y285 HydrophobicContact CB-CE1 4.08Å; V78-Y285 HydrophobicContact CG1-CD1 3.68Å; V78-Y285 HydrophobicContact CG1-CE1 4.03Å; V78-Y285 HydrophobicContact CG1-CG 4.15Å
79A94.2Very high93.3Very high43 Ų4359.8 Ų59.836%0.35531%0.313SS..Hα-helixtrans-59.3-36.6-178.700000112.9P77 G83 Y285 W288P77-A79 VanDerWaalsContact C-N 3.29Å; P77-A79 PolarHBondContact O-N 2.86Å; A79-G83 PolarHBondContact O-N 3.06Å; A79-Y285 HydrophobicContact CB-CE1 4Å; A79-W288 HydrophobicContact CB-CZ3 4.33Å
80F94.1Very high93.3Very high134 Ų13461.9 Ų61.959%0.58833%0.325SS*.Hα-helixtrans-68.3-55179.9-179-88000110.4P77 V78 L82 G83 F84P77-F80 HydrophobicContact CB-CB 4.33Å; P77-F80 WeakPolarHBondContact O-CB 3.23Å; P77-F80 PolarHBondContact O-N 3.27Å; P77-F80 VanDerWaalsContact O-N 3.14Å; V78-F80 VanDerWaalsContact C-N 3.25Å; V78-F80 PolarHBondContact O-N 2.9Å; F80-L82 VanDerWaalsContact C-N 3.29Å; F80-L82 PolarHBondContact O-N 3.41Å; F80-G83 PolarHBondContact O-N 3.26Å; F80-F84 AromaticContact CD1-CD2 3.94Å; F80-F84 HydrophobicContact CD1-CD2 3.94Å; F80-F84 HydrophobicContact CD1-CE2 4.03Å; F80-F84 HydrophobicContact CD2-CD2 4.31Å; F80-F84 AromaticContact CD2-CE2 3.69Å; F80-F84 HydrophobicContact CD2-CE2 3.69Å; F80-F84 AromaticContact CE1-CD2 3.72Å; F80-F84 HydrophobicContact CE1-CD2 3.72Å; F80-F84 AromaticContact CE1-CE2 3.62Å; F80-F84 HydrophobicContact CE1-CE2 3.62Å; F80-F84 HydrophobicContact CE2-CD2 4.16Å; F80-F84 AromaticContact CE2-CE2 3.29Å; F80-F84 HydrophobicContact CE2-CE2 3.29Å; F80-F84 HydrophobicContact CE2-CZ 4.07Å; F80-F84 HydrophobicContact CG-CD2 4.22Å; F80-F84 HydrophobicContact CG-CE2 4.06Å; F80-F84 AromaticContact CZ-CD2 3.84Å; F80-F84 HydrophobicContact CZ-CD2 3.84Å; F80-F84 AromaticContact CZ-CE2 3.22Å; F80-F84 HydrophobicContact CZ-CE2 3.22Å; F80-F84 HydrophobicContact CZ-CZ 4.01Å; F80-F84 VanDerWaalsContact O-CD2 3.28Å; F80-F84 WeakPolarHBondContact O-CD2 3.27Å; F80-F84 PolarHBondContact O-N 3.07Å
81V93.3Very high93.6Very high38 Ų3866 Ų6623%0.2334%0.338CS..Hα-helixtrans-58.9-43.8-179.1175.90000110.8P77 V78 Y85 V241P77-V81 PolarHBondContact O-N 3.06Å; V78-V81 PolarHBondContact O-N 2.85Å; V81-Y85 WeakPolarHBondContact O-CB 3.37Å; V81-Y85 PolarHBondContact O-N 3.23Å; V81-V241 HydrophobicContact CG1-CB 4.25Å; V81-V241 HydrophobicContact CG1-CG1 4.43Å; V81-V241 HydrophobicContact CG1-CG2 3.67Å
82L95.8Very high93.9Very high0 Ų058.3 Ų58.30%031%0.309CS..Hα-helixtrans-67.6-40.4179.6-158.462.1000111.9V78 F80 Y85 V86 V241 V245 Y285 W288 L289V78-L82 VanDerWaalsContact O-CB 3.22Å; V78-L82 WeakPolarHBondContact O-CB 3.11Å; V78-L82 PolarHBondContact O-N 3.33Å; F80-L82 VanDerWaalsContact C-N 3.29Å; F80-L82 PolarHBondContact O-N 3.41Å; L82-Y85 PolarHBondContact O-N 3.12Å; L82-V86 HydrophobicContact CD1-CG2 4.27Å; L82-V86 HydrophobicContact CG-CG2 4.1Å; L82-V86 WeakPolarHBondContact O-CB 3.5Å; L82-V86 WeakPolarHBondContact O-CG2 3.48Å; L82-V86 PolarHBondContact O-N 3.14Å; L82-V241 HydrophobicContact CD1-CG1 3.64Å; L82-V245 HydrophobicContact CD1-CG2 3.92Å; L82-V245 HydrophobicContact CD2-CG2 4.46Å; L82-Y285 HydrophobicContact CD2-CD1 4.21Å; L82-Y285 WeakPolarHBondContact CD2-O 3.16Å; L82-W288 HydrophobicContact CB-CE3 4.18Å; L82-W288 HydrophobicContact CB-CZ3 4.27Å; L82-W288 HydrophobicContact CD2-CB 3.71Å; L82-W288 HydrophobicContact CD2-CD2 3.77Å; L82-W288 HydrophobicContact CD2-CE3 3.57Å; L82-W288 HydrophobicContact CD2-CG 3.85Å; L82-W288 HydrophobicContact CD2-CZ3 4.41Å; L82-W288 HydrophobicContact CG-CB 4.47Å; L82-W288 HydrophobicContact CG-CD2 3.98Å; L82-W288 HydrophobicContact CG-CE3 4.01Å; L82-W288 HydrophobicContact CG-CG 4.18Å; L82-L289 HydrophobicContact CD1-CB 4.04Å; L82-L289 HydrophobicContact CD1-CD1 3.91Å
83G96.7Very high94.3Very high15 Ų1554.1 Ų54.116%0.15529%0.293CS..Hα-helixtrans-61.2-46.717900000113.8A79 F80 S87 W288A79-G83 PolarHBondContact O-N 3.06Å; F80-G83 PolarHBondContact O-N 3.26Å; G83-S87 VanDerWaalsContact O-CB 3.3Å; G83-S87 WeakPolarHBondContact O-CB 3.36Å; G83-S87 PolarHBondContact O-N 2.91Å; G83-S87 VanDerWaalsContact O-N 3.09Å; G83-S87 PolarHBondContact O-OG 3.18Å; G83-W288 VanDerWaalsContact CA-CZ2 3.44Å
84F96.3Very high94.6Very high116 Ų11660 Ų6051%0.50931%0.314SS..Hα-helixtrans-65.4-42.6176.4-78-75.4000112.2F80 L88 Y237F80-F84 AromaticContact CD1-CD2 3.94Å; F80-F84 HydrophobicContact CD1-CD2 3.94Å; F80-F84 HydrophobicContact CD1-CE2 4.03Å; F80-F84 HydrophobicContact CD2-CD2 4.31Å; F80-F84 AromaticContact CD2-CE2 3.69Å; F80-F84 HydrophobicContact CD2-CE2 3.69Å; F80-F84 AromaticContact CE1-CD2 3.72Å; F80-F84 HydrophobicContact CE1-CD2 3.72Å; F80-F84 AromaticContact CE1-CE2 3.62Å; F80-F84 HydrophobicContact CE1-CE2 3.62Å; F80-F84 HydrophobicContact CE2-CD2 4.16Å; F80-F84 AromaticContact CE2-CE2 3.29Å; F80-F84 HydrophobicContact CE2-CE2 3.29Å; F80-F84 HydrophobicContact CE2-CZ 4.07Å; F80-F84 HydrophobicContact CG-CD2 4.22Å; F80-F84 HydrophobicContact CG-CE2 4.06Å; F80-F84 AromaticContact CZ-CD2 3.84Å; F80-F84 HydrophobicContact CZ-CD2 3.84Å; F80-F84 AromaticContact CZ-CE2 3.22Å; F80-F84 HydrophobicContact CZ-CE2 3.22Å; F80-F84 HydrophobicContact CZ-CZ 4.01Å; F80-F84 VanDerWaalsContact O-CD2 3.28Å; F80-F84 WeakPolarHBondContact O-CD2 3.27Å; F80-F84 PolarHBondContact O-N 3.07Å; F84-L88 PolarHBondContact O-N 3.37Å; F84-L88 VanDerWaalsContact O-N 3.15Å; F84-Y237 WeakPolarHBondContact CB-OH 3.25Å
85Y97.8Very high95.3Very high7 Ų755.6 Ų55.63%0.02729%0.294CS..Hα-helixtrans-65.7-50.9-179.5-179.3-107.4000112V81 L82 S87 L88 I89 Y237 T238 V241 A292V81-Y85 WeakPolarHBondContact O-CB 3.37Å; V81-Y85 PolarHBondContact O-N 3.23Å; L82-Y85 PolarHBondContact O-N 3.12Å; Y85-S87 VanDerWaalsContact C-N 3.28Å; Y85-S87 PolarHBondContact O-N 3.33Å; Y85-L88 WeakPolarHBondContact O-CB 3.39Å; Y85-L88 PolarHBondContact O-N 3.15Å; Y85-I89 HydrophobicContact CD1-CG1 4.39Å; Y85-I89 HydrophobicContact CE1-CG1 4.04Å; Y85-I89 HydrophobicContact CE2-CD1 4.19Å; Y85-I89 HydrophobicContact CE2-CG1 4.32Å; Y85-I89 WeakPolarHBondContact O-CG1 3.34Å; Y85-I89 PolarHBondContact O-N 2.88Å; Y85-Y237 HydrophobicContact CD2-CD1 4.07Å; Y85-Y237 HydrophobicContact CD2-CD2 4.16Å; Y85-Y237 HydrophobicContact CD2-CE1 4.05Å; Y85-Y237 HydrophobicContact CD2-CE2 4.13Å; Y85-Y237 HydrophobicContact CD2-CG 4.13Å; Y85-Y237 PolarHBondContact N-OH 3.32Å; Y85-T238 WeakPolarHBondContact OH-CG2 3.18Å; Y85-T238 PolarHBondContact OH-OG1 2.99Å; Y85-V241 HydrophobicContact CD1-CB 4.3Å; Y85-V241 HydrophobicContact CD1-CG1 3.87Å; Y85-V241 HydrophobicContact CD1-CG2 4.14Å; Y85-V241 HydrophobicContact CD2-CG2 3.82Å; Y85-V241 HydrophobicContact CE1-CG1 4.47Å; Y85-V241 HydrophobicContact CG-CB 4.24Å; Y85-V241 HydrophobicContact CG-CG1 4.13Å; Y85-V241 HydrophobicContact CG-CG2 3.58Å; Y85-A292 HydrophobicContact CD1-CB 3.84Å; Y85-A292 HydrophobicContact CE1-CB 3.53Å
86V97.8Very high95.9Very high8 Ų851.2 Ų51.25%0.04827%0.267CS..Hα-helixtrans-61.2-39.9179.9175.60000110.7L82 L88 I89 V90 W288 V291 A292L82-V86 HydrophobicContact CD1-CG2 4.27Å; L82-V86 HydrophobicContact CG-CG2 4.1Å; L82-V86 WeakPolarHBondContact O-CB 3.5Å; L82-V86 WeakPolarHBondContact O-CG2 3.48Å; L82-V86 PolarHBondContact O-N 3.14Å; V86-L88 VanDerWaalsContact C-N 3.34Å; V86-L88 PolarHBondContact O-N 3Å; V86-I89 PolarHBondContact O-N 3.29Å; V86-V90 HydrophobicContact CG1-CG2 4.09Å; V86-V90 WeakPolarHBondContact O-CG2 3.49Å; V86-V90 PolarHBondContact O-N 3.05Å; V86-W288 HydrophobicContact CG2-CG 4.32Å; V86-W288 WeakPolarHBondContact CG2-O 3.38Å; V86-V291 HydrophobicContact CG1-CG1 4.08Å; V86-A292 HydrophobicContact CG2-CB 3.97Å
87S97.9Very high96.3Very high76 Ų7651.7 Ų51.753%0.53126%0.264SS..Hα-helixtrans-61-42.6177.5-58.80000112.2G83 Y85 V90 Q91G83-S87 VanDerWaalsContact O-CB 3.3Å; G83-S87 WeakPolarHBondContact O-CB 3.36Å; G83-S87 PolarHBondContact O-N 2.91Å; G83-S87 VanDerWaalsContact O-N 3.09Å; G83-S87 PolarHBondContact O-OG 3.18Å; Y85-S87 VanDerWaalsContact C-N 3.28Å; Y85-S87 PolarHBondContact O-N 3.33Å; S87-V90 PolarHBondContact O-N 3.27Å; S87-Q91 WeakPolarHBondContact O-CB 3.41Å; S87-Q91 PolarHBondContact O-N 3.39Å
88L97.7Very high96.6Very high59 Ų5952.4 Ų52.431%0.30926%0.263SS..Hα-helixtrans-59.9-45.6174.1172.366.5000111.4F84 Y85 V86 Q91 R92 Y237F84-L88 PolarHBondContact O-N 3.37Å; F84-L88 VanDerWaalsContact O-N 3.15Å; Y85-L88 WeakPolarHBondContact O-CB 3.39Å; Y85-L88 PolarHBondContact O-N 3.15Å; V86-L88 VanDerWaalsContact C-N 3.34Å; V86-L88 PolarHBondContact O-N 3Å; L88-Q91 PolarHBondContact O-N 2.85Å; L88-R92 HydrophobicContact CD1-CG 4.32Å; L88-R92 WeakPolarHBondContact O-CG 3.43Å; L88-R92 PolarHBondContact O-N 3.1Å; L88-Y237 HydrophobicContact CD2-CD1 4.1Å; L88-Y237 HydrophobicContact CD2-CE1 3.83Å
89I98.1Very high96.8Very high2 Ų252.7 Ų52.71%0.0127%0.266CS..Hα-helixtrans-64.8-45.9-179.8-60.6-50000111.2Y85 V86 Q91 R92 W93 P233 A292 L295 I296Y85-I89 HydrophobicContact CD1-CG1 4.39Å; Y85-I89 HydrophobicContact CE1-CG1 4.04Å; Y85-I89 HydrophobicContact CE2-CD1 4.19Å; Y85-I89 HydrophobicContact CE2-CG1 4.32Å; Y85-I89 WeakPolarHBondContact O-CG1 3.34Å; Y85-I89 PolarHBondContact O-N 2.88Å; V86-I89 PolarHBondContact O-N 3.29Å; I89-Q91 VanDerWaalsContact C-N 3.31Å; I89-Q91 PolarHBondContact O-N 3.06Å; I89-R92 PolarHBondContact O-N 3.33Å; I89-W93 VanDerWaalsContact O-CB 3.3Å; I89-W93 WeakPolarHBondContact O-CB 2.89Å; I89-W93 PolarHBondContact O-N 2.84Å; I89-P233 HydrophobicContact CD1-CB 4.18Å; I89-P233 HydrophobicContact CD1-CG 3.45Å; I89-P233 VanDerWaalsContact CD1-CG 3.45Å; I89-A292 HydrophobicContact CB-CB 4.34Å; I89-A292 HydrophobicContact CG1-CB 4.04Å; I89-A292 HydrophobicContact CG2-CB 4.48Å; I89-L295 HydrophobicContact CG2-CB 3.8Å; I89-I296 HydrophobicContact CD1-CD1 4.49Å; I89-I296 HydrophobicContact CD1-CG1 4.17Å; I89-I296 HydrophobicContact CG2-CB 4.47Å
90V97.4Very high96.9Very high58 Ų5850.8 Ų50.835%0.35225%0.25SC..Hα-helixtrans-61.4-40.4178.7171.90000111.4V86 S87 W93 W94 L295V86-V90 HydrophobicContact CG1-CG2 4.09Å; V86-V90 WeakPolarHBondContact O-CG2 3.49Å; V86-V90 PolarHBondContact O-N 3.05Å; S87-V90 PolarHBondContact O-N 3.27Å; V90-W93 WeakPolarHBondContact O-CB 3.24Å; V90-W93 PolarHBondContact O-N 3.29Å; V90-W94 PolarHBondContact O-N 2.91Å; V90-L295 HydrophobicContact CG2-CD1 3.95Å
91Q97.9Very high97.1Very high109 Ų10944.5 Ų44.551%0.50922%0.222SC..Hα-helixtrans-61.7-51.2175.2-179.9179.4-1100111.2S87 L88 I89 W93 W94 E95S87-Q91 WeakPolarHBondContact O-CB 3.41Å; S87-Q91 PolarHBondContact O-N 3.39Å; L88-Q91 PolarHBondContact O-N 2.85Å; I89-Q91 VanDerWaalsContact C-N 3.31Å; I89-Q91 PolarHBondContact O-N 3.06Å; Q91-W93 VanDerWaalsContact C-N 3.29Å; Q91-W93 PolarHBondContact O-N 3.4Å; Q91-W94 PolarHBondContact O-N 3.35Å; Q91-E95 HydrophobicContact CG-CG 4.43Å; Q91-E95 WeakPolarHBondContact CG-OE1 3.29Å; Q91-E95 PolarHBondContact NE2-OE1 3.43Å; Q91-E95 WeakPolarHBondContact O-CG 3.06Å; Q91-E95 PolarHBondContact O-N 3Å
92R97.9Very high97.2Very high35 Ų3547.7 Ų47.713%0.13223%0.23CC..Hα-helixtrans-59.7-40.5178.1-71.5174.657.690-1.9112.1L88 I89 W94 E95 Q96 Y228 V231L88-R92 HydrophobicContact CD1-CG 4.32Å; L88-R92 WeakPolarHBondContact O-CG 3.43Å; L88-R92 PolarHBondContact O-N 3.1Å; I89-R92 PolarHBondContact O-N 3.33Å; R92-W94 VanDerWaalsContact C-N 3.34Å; R92-E95 PolarHBondContact O-N 3.04Å; R92-Q96 WeakPolarHBondContact O-CB 3.37Å; R92-Q96 VanDerWaalsContact O-CG 3.24Å; R92-Q96 WeakPolarHBondContact O-CG 3.33Å; R92-Q96 PolarHBondContact O-N 3.31Å; R92-Q96 PolarHBondContact O-NE2 3.31Å; R92-Q96 VanDerWaalsContact O-NE2 3.08Å; R92-Y228 HydrophobicContact CB-CD1 4.49Å; R92-Y228 HydrophobicContact CB-CE1 4.22Å; R92-Y228 HydrophobicContact CG-CE1 4.08Å; R92-Y228 PolarHBondContact NH2-O 2.87Å; R92-V231 PolarHBondContact NH1-O 2.94Å; R92-V231 PolarHBondContact NH2-O 2.93Å
93W97.1Very high97.3Very high33 Ų3347.8 Ų47.813%0.12523%0.231CC..Hα-helixtrans-57.6-47.8176167.785.9000111.3M1 I89 V90 Q91 Q96 F97 L295 F306M1-W93 HydrophobicContact CG-CZ2 4.41Å; I89-W93 VanDerWaalsContact O-CB 3.3Å; I89-W93 WeakPolarHBondContact O-CB 2.89Å; I89-W93 PolarHBondContact O-N 2.84Å; V90-W93 WeakPolarHBondContact O-CB 3.24Å; V90-W93 PolarHBondContact O-N 3.29Å; Q91-W93 VanDerWaalsContact C-N 3.29Å; Q91-W93 PolarHBondContact O-N 3.4Å; W93-Q96 PolarHBondContact O-N 3.31Å; W93-F97 PolarHBondContact O-N 2.84Å; W93-F97 VanDerWaalsContact O-N 3.15Å; W93-L295 HydrophobicContact CB-CB 4.31Å; W93-L295 HydrophobicContact CD2-CD2 4.37Å; W93-L295 HydrophobicContact CG-CB 4.3Å; W93-L295 HydrophobicContact CG-CD2 4.14Å; W93-F306 AromaticContact CD1-CZ 3.87Å; W93-F306 AromaticContact CE2-CE1 3.79Å; W93-F306 HydrophobicContact CG-CZ 4.48Å; W93-F306 HydrophobicContact CZ2-CE1 4.08Å; W93-F306 AromaticContact NE1-CE1 3.37Å; W93-F306 AromaticContact NE1-CZ 3.59Å
94W97.1Very high97.4Very high126 Ų12648.8 Ų48.848%0.47723%0.233SC..Hα-helixtrans-69-41.1-179.5-172.9-118.4000112.6V90 Q91 R92 Q96 F97 L98V90-W94 PolarHBondContact O-N 2.91Å; Q91-W94 PolarHBondContact O-N 3.35Å; R92-W94 VanDerWaalsContact C-N 3.34Å; W94-Q96 VanDerWaalsContact C-N 3.33Å; W94-Q96 PolarHBondContact O-N 3.35Å; W94-F97 HydrophobicContact CE3-CB 4.38Å; W94-F97 HydrophobicContact CE3-CD1 4.03Å; W94-F97 AromaticContact CH2-CD1 3.94Å; W94-F97 HydrophobicContact CH2-CD1 3.94Å; W94-F97 HydrophobicContact CH2-CE1 4.14Å; W94-F97 AromaticContact CZ3-CD1 3.56Å; W94-F97 HydrophobicContact CZ3-CD1 3.56Å; W94-F97 HydrophobicContact CZ3-CE1 4.03Å; W94-F97 HydrophobicContact CZ3-CG 4.34Å; W94-F97 WeakPolarHBondContact O-CB 3.39Å; W94-F97 PolarHBondContact O-N 3.46Å; W94-L98 HydrophobicContact CD2-CG 4.49Å; W94-L98 HydrophobicContact CZ2-CD2 4.02Å; W94-L98 HydrophobicContact CZ2-CG 4.41Å; W94-L98 WeakPolarHBondContact O-CG 3.38Å; W94-L98 PolarHBondContact O-N 3.08Å
95E97.7Very high97.4Very high68 Ų6850.4 Ų50.432%0.31824%0.235SC..Hα-helixtrans-62-40.5176.4-71.1169.8173.600111.8Q91 R92 F97 L98 A99 Y228Q91-E95 HydrophobicContact CG-CG 4.43Å; Q91-E95 WeakPolarHBondContact CG-OE1 3.29Å; Q91-E95 PolarHBondContact NE2-OE1 3.43Å; Q91-E95 WeakPolarHBondContact O-CG 3.06Å; Q91-E95 PolarHBondContact O-N 3Å; R92-E95 PolarHBondContact O-N 3.04Å; E95-F97 PolarHBondContact O-N 2.93Å; E95-L98 PolarHBondContact O-N 3.34Å; E95-A99 VanDerWaalsContact O-CB 3.3Å; E95-A99 WeakPolarHBondContact O-CB 3.34Å; E95-A99 PolarHBondContact O-N 3.33Å; E95-Y228 HydrophobicContact CB-CE2 4.32Å; E95-Y228 VanDerWaalsContact CB-OH 3.29Å; E95-Y228 WeakPolarHBondContact CB-OH 3.49Å; E95-Y228 PolarHBondContact OE2-OH 3.39Å
96Q97.6Very high97.4Very high7 Ų750.2 Ų50.23%0.03324%0.235CC..Hα-helixtrans-61.6-41.2173.5-75.7173.99600112.3R92 W93 W94 A99 L100 Y228 F299 F306R92-Q96 WeakPolarHBondContact O-CB 3.37Å; R92-Q96 VanDerWaalsContact O-CG 3.24Å; R92-Q96 WeakPolarHBondContact O-CG 3.33Å; R92-Q96 PolarHBondContact O-N 3.31Å; R92-Q96 PolarHBondContact O-NE2 3.31Å; R92-Q96 VanDerWaalsContact O-NE2 3.08Å; W93-Q96 PolarHBondContact O-N 3.31Å; W94-Q96 VanDerWaalsContact C-N 3.33Å; W94-Q96 PolarHBondContact O-N 3.35Å; Q96-A99 PolarHBondContact O-N 3.42Å; Q96-L100 PolarHBondContact O-N 3.44Å; Q96-Y228 HydrophobicContact CG-CD1 3.93Å; Q96-Y228 HydrophobicContact CG-CD2 3.47Å; Q96-Y228 VanDerWaalsContact CG-CD2 3.47Å; Q96-Y228 HydrophobicContact CG-CE1 4.5Å; Q96-Y228 HydrophobicContact CG-CE2 4.1Å; Q96-Y228 HydrophobicContact CG-CG 3.39Å; Q96-F299 HydrophobicContact CB-CE2 4.34Å; Q96-F306 HydrophobicContact CB-CE2 4.33Å
97F96Very high97.4Very high65 Ų6549.9 Ų49.929%0.28523%0.233SC..Hα-helixtrans-61.6-48.3175.3-179.8-106.8000111.8W93 W94 E95 A99 L100 F306W93-F97 PolarHBondContact O-N 2.84Å; W93-F97 VanDerWaalsContact O-N 3.15Å; W94-F97 HydrophobicContact CE3-CB 4.38Å; W94-F97 HydrophobicContact CE3-CD1 4.03Å; W94-F97 AromaticContact CH2-CD1 3.94Å; W94-F97 HydrophobicContact CH2-CD1 3.94Å; W94-F97 HydrophobicContact CH2-CE1 4.14Å; W94-F97 AromaticContact CZ3-CD1 3.56Å; W94-F97 HydrophobicContact CZ3-CD1 3.56Å; W94-F97 HydrophobicContact CZ3-CE1 4.03Å; W94-F97 HydrophobicContact CZ3-CG 4.34Å; W94-F97 WeakPolarHBondContact O-CB 3.39Å; W94-F97 PolarHBondContact O-N 3.46Å; E95-F97 PolarHBondContact O-N 2.93Å; F97-A99 PolarHBondContact O-N 2.98Å; F97-L100 HydrophobicContact CD2-CD1 4.33Å; F97-L100 WeakPolarHBondContact O-CB 3.29Å; F97-L100 PolarHBondContact O-N 3.12Å; F97-L100 VanDerWaalsContact O-N 3.12Å; F97-F306 HydrophobicContact CB-CE1 3.93Å; F97-F306 HydrophobicContact CB-CE2 4.15Å; F97-F306 HydrophobicContact CB-CZ 3.54Å; F97-F306 HydrophobicContact CD2-CD1 4.01Å; F97-F306 AromaticContact CD2-CE1 3.81Å; F97-F306 HydrophobicContact CD2-CE1 3.81Å; F97-F306 HydrophobicContact CD2-CZ 4.15Å; F97-F306 HydrophobicContact CG-CE1 4.23Å; F97-F306 HydrophobicContact CG-CZ 4.3Å
98L96.6Very high97.3Very high99 Ų9951 Ų5152%0.51823%0.233SC..Hα-helixtrans-66.3-25.8179.2-67.1-178.8000112.9W94 E95 L100W94-L98 HydrophobicContact CD2-CG 4.49Å; W94-L98 HydrophobicContact CZ2-CD2 4.02Å; W94-L98 HydrophobicContact CZ2-CG 4.41Å; W94-L98 WeakPolarHBondContact O-CG 3.38Å; W94-L98 PolarHBondContact O-N 3.08Å; E95-L98 PolarHBondContact O-N 3.34Å; L98-L100 VanDerWaalsContact C-N 3.3Å
99A97.3Very high97.3Very high9 Ų950.8 Ų50.87%0.07423%0.229CC..Hα-helixtrans-75.8-13175.500000113.2E95 Q96 F97 P101 K221 T224 I225E95-A99 VanDerWaalsContact O-CB 3.3Å; E95-A99 WeakPolarHBondContact O-CB 3.34Å; E95-A99 PolarHBondContact O-N 3.33Å; Q96-A99 PolarHBondContact O-N 3.42Å; F97-A99 PolarHBondContact O-N 2.98Å; A99-P101 WeakPolarHBondContact O-CD 3.06Å; A99-P101 VanDerWaalsContact O-N 3.17Å; A99-K221 VanDerWaalsContact O-CB 3.25Å; A99-K221 WeakPolarHBondContact O-CB 3.47Å; A99-T224 HydrophobicContact CB-CG2 3.73Å; A99-I225 HydrophobicContact CB-CD1 4.32Å; A99-I225 HydrophobicContact CB-CG1 3.69Å; A99-I225 WeakPolarHBondContact O-CD1 3.4Å
100L97.4Very high97.3Very high2 Ų250.7 Ų50.71%0.0123%0.229CC..SBendtrans-64.3114.9174.8-76.6163.6000110.2Q96 F97 L98 Y136 L140 I225 F299 F306 I308 L311Q96-L100 PolarHBondContact O-N 3.44Å; F97-L100 HydrophobicContact CD2-CD1 4.33Å; F97-L100 WeakPolarHBondContact O-CB 3.29Å; F97-L100 PolarHBondContact O-N 3.12Å; F97-L100 VanDerWaalsContact O-N 3.12Å; L98-L100 VanDerWaalsContact C-N 3.3Å; L100-Y136 HydrophobicContact CD2-CE2 4.5Å; L100-L140 HydrophobicContact CD2-CD2 4.04Å; L100-I225 HydrophobicContact CB-CD1 4.36Å; L100-I225 HydrophobicContact CD2-CD1 3.51Å; L100-I225 HydrophobicContact CG-CD1 3.83Å; L100-F299 HydrophobicContact CD2-CE1 4.03Å; L100-F299 HydrophobicContact CD2-CZ 4.34Å; L100-F306 HydrophobicContact CD1-CD2 4.04Å; L100-F306 HydrophobicContact CD1-CG 4.49Å; L100-I308 HydrophobicContact CD1-CD1 4.42Å; L100-L311 HydrophobicContact CD1-CD1 3.89Å
101P96.8Very high97.2Very high2 Ų249 Ų491%0.01322%0.219CC..  trans-77.6143.2-178.532.4-37.2000111.8A99 Y136 F218 K221 L222A99-P101 WeakPolarHBondContact O-CD 3.06Å; A99-P101 VanDerWaalsContact O-N 3.17Å; P101-Y136 HydrophobicContact CG-CD2 3.76Å; P101-Y136 HydrophobicContact CG-CE2 3.72Å; P101-Y136 VanDerWaalsContact O-CE2 3.28Å; P101-Y136 WeakPolarHBondContact O-CE2 3.15Å; P101-F218 HydrophobicContact CB-CD1 4.09Å; P101-F218 HydrophobicContact CB-CD2 3.57Å; P101-F218 HydrophobicContact CB-CE1 4.08Å; P101-F218 HydrophobicContact CB-CE2 3.54Å; P101-F218 HydrophobicContact CB-CG 3.83Å; P101-F218 HydrophobicContact CB-CZ 3.8Å; P101-F218 HydrophobicContact CG-CD1 3.97Å; P101-F218 HydrophobicContact CG-CD2 4.23Å; P101-F218 HydrophobicContact CG-CE1 3.65Å; P101-F218 HydrophobicContact CG-CE2 3.91Å; P101-F218 HydrophobicContact CG-CG 4.24Å; P101-F218 HydrophobicContact CG-CZ 3.6Å; P101-K221 HydrophobicContact CB-CB 3.84Å; P101-K221 HydrophobicContact CB-CD 3.81Å; P101-K221 HydrophobicContact CB-CG 4.49Å; P101-K221 HydrophobicContact CG-CB 4.16Å; P101-L222 HydrophobicContact CG-CD2 3.65Å; P101-L222 HydrophobicContact CG-CG 3.92Å
102W97Very high97.1Very high105 Ų10546.2 Ų46.240%0.39821%0.214SC..  trans-111.7129.9177.2-67.372.1000108.4D104 L311W102-D104 PolarHBondContact O-N 3.48Å; W102-L311 HydrophobicContact CH2-CD2 3.59Å; W102-L311 HydrophobicContact CZ2-CD2 3.67Å; W102-L311 HydrophobicContact CZ3-CD2 4.33Å
103P97.4Very high97Very high2 Ų246.2 Ų46.21%0.01322%0.215CC..SBendtrans-74.6-10.2-175.432.2-37.2000113.4R105 L106 A107 I132 F218 N315P103-R105 PolarHBondContact O-N 3.48Å; P103-L106 PolarHBondContact O-N 3.47Å; P103-L106 VanDerWaalsContact O-N 3.15Å; P103-A107 WeakPolarHBondContact O-CB 3.2Å; P103-A107 PolarHBondContact O-N 3.18Å; P103-I132 HydrophobicContact CB-CG2 4.41Å; P103-F218 HydrophobicContact CB-CE2 4.37Å; P103-N315 VanDerWaalsContact CD-OD1 3.29Å; P103-N315 WeakPolarHBondContact CD-OD1 3.45Å; P103-N315 HydrophobicContact CG-CB 3.79Å
104D97.6Very high97Very high36 Ų3644.7 Ų44.719%0.19321%0.21CC..Hα-helixtrans-51.4-52.9-171.3-58.1-123.2000113.3W102 L106 A107 L108 R314W102-D104 PolarHBondContact O-N 3.48Å; D104-L106 VanDerWaalsContact C-N 3.28Å; D104-L106 PolarHBondContact O-N 3.11Å; D104-A107 PolarHBondContact O-N 2.69Å; D104-L108 WeakPolarHBondContact O-CB 3.32Å; D104-L108 VanDerWaalsContact O-CG 3.27Å; D104-L108 WeakPolarHBondContact O-CG 3.5Å; D104-L108 PolarHBondContact O-N 3.11Å; D104-R314 IonicContact OD1-CZ 2.71Å; D104-R314 VanDerWaalsContact OD1-CZ 3.25Å; D104-R314 IonicContact OD1-NH1 2.81Å; D104-R314 PolarHBondContact OD1-NH1 3.45Å; D104-R314 IonicContact OD1-NH2 3.19Å; D104-R314 PolarHBondContact OD1-NH2 3.23Å; D104-R314 IonicContact OD2-CZ 2.79Å; D104-R314 IonicContact OD2-NH1 2.87Å; D104-R314 PolarHBondContact OD2-NH1 3.32Å; D104-R314 IonicContact OD2-NH2 2.78Å
105R96.9Very high96.8Very high150 Ų15040.4 Ų40.457%0.56620%0.195SC*.Hα-helixtrans-61.4-41.4-177.2179.4170.3160.3151-3111.1P103 L108 F109 E214P103-R105 PolarHBondContact O-N 3.48Å; R105-L108 PolarHBondContact O-N 2.77Å; R105-F109 HydrophobicContact CG-CD2 4.1Å; R105-F109 HydrophobicContact CG-CE2 3.56Å; R105-F109 HydrophobicContact CG-CZ 4.35Å; R105-F109 WeakPolarHBondContact O-CD2 3.22Å; R105-F109 PolarHBondContact O-N 3.16Å; R105-F109 VanDerWaalsContact O-N 3.15Å; R105-E214 VanDerWaalsContact CD-OE2 3.24Å; R105-E214 WeakPolarHBondContact CD-OE2 3.49Å; R105-E214 WeakPolarHBondContact CG-OE2 3.34Å; R105-E214 IonicContact CZ-OE1 2.65Å; R105-E214 IonicContact CZ-OE2 2.7Å; R105-E214 IonicContact NE-OE1 2.85Å; R105-E214 PolarHBondContact NE-OE1 3.21Å; R105-E214 IonicContact NE-OE2 3.67Å; R105-E214 PolarHBondContact NE-OE2 3.16Å; R105-E214 IonicContact NH2-OE1 3.54Å; R105-E214 PolarHBondContact NH2-OE1 2.92Å
106L97.2Very high96.6Very high4 Ų438.4 Ų38.42%0.02119%0.193CC..Hα-helixtrans-69.5-43.1177.3-178.244.9000111.4P103 D104 L108 F109 I110 I132 L211 E214 I215P103-L106 PolarHBondContact O-N 3.47Å; P103-L106 VanDerWaalsContact O-N 3.15Å; D104-L106 VanDerWaalsContact C-N 3.28Å; D104-L106 PolarHBondContact O-N 3.11Å; L106-L108 VanDerWaalsContact C-N 3.32Å; L106-L108 PolarHBondContact O-N 3.04Å; L106-F109 PolarHBondContact O-N 2.99Å; L106-I110 HydrophobicContact CD1-CD1 3.94Å; L106-I110 HydrophobicContact CD1-CG1 4.1Å; L106-I110 HydrophobicContact CG-CD1 3.92Å; L106-I110 WeakPolarHBondContact O-CD1 3.48Å; L106-I110 WeakPolarHBondContact O-CG1 3.06Å; L106-I110 PolarHBondContact O-N 3.34Å; L106-I132 HydrophobicContact CD2-CD1 3.15Å; L106-I132 HydrophobicContact CD2-CG1 3.83Å; L106-I132 HydrophobicContact CG-CD1 3.61Å; L106-L211 HydrophobicContact CD1-CD2 3.83Å; L106-E214 HydrophobicContact CB-CB 4.38Å; L106-E214 HydrophobicContact CD1-CB 3.9Å; L106-E214 HydrophobicContact CD2-CB 4.46Å; L106-E214 HydrophobicContact CG-CB 4.49Å; L106-I215 HydrophobicContact CD1-CG1 4.13Å; L106-I215 HydrophobicContact CD2-CB 4.49Å; L106-I215 HydrophobicContact CD2-CG1 3.58Å; L106-I215 HydrophobicContact CG-CG1 4.5Å
107A97.8Very high96.3Very high1 Ų143.5 Ų43.51%0.00822%0.22CC..Hα-helixtrans-58.9-41.6174.400000112.1P103 D104 I110 T111 I322 V323P103-A107 WeakPolarHBondContact O-CB 3.2Å; P103-A107 PolarHBondContact O-N 3.18Å; D104-A107 PolarHBondContact O-N 2.69Å; A107-I110 PolarHBondContact O-N 3.01Å; A107-T111 PolarHBondContact O-N 3Å; A107-I322 HydrophobicContact CB-CB 3.99Å; A107-I322 HydrophobicContact CB-CD1 4.04Å; A107-I322 HydrophobicContact CB-CG2 3.77Å; A107-V323 HydrophobicContact CB-CG1 3.85Å
108L97.3Very high96.3Very high100 Ų10043.4 Ų43.452%0.52423%0.231SC..Hα-helixtrans-61.5-42.5175.4-72171.1000112.1D104 R105 L106 T111 A112 I322D104-L108 WeakPolarHBondContact O-CB 3.32Å; D104-L108 VanDerWaalsContact O-CG 3.27Å; D104-L108 WeakPolarHBondContact O-CG 3.5Å; D104-L108 PolarHBondContact O-N 3.11Å; R105-L108 PolarHBondContact O-N 2.77Å; L106-L108 VanDerWaalsContact C-N 3.32Å; L106-L108 PolarHBondContact O-N 3.04Å; L108-T111 VanDerWaalsContact O-CG2 3.25Å; L108-T111 WeakPolarHBondContact O-CG2 3.15Å; L108-A112 WeakPolarHBondContact O-CB 3.38Å; L108-A112 PolarHBondContact O-N 2.83Å; L108-A112 VanDerWaalsContact O-N 3.1Å; L108-I322 HydrophobicContact CD2-CG2 4.11Å; L108-I322 HydrophobicContact CG-CG2 4.49Å
109F97.5Very high96.2Very high53 Ų5344.9 Ų44.923%0.23224%0.236CC..Hα-helixtrans-69.9-38.3175.3-68.2-50.1000112.8R105 L106 A112 F113 I210 L211 E214R105-F109 HydrophobicContact CG-CD2 4.1Å; R105-F109 HydrophobicContact CG-CE2 3.56Å; R105-F109 HydrophobicContact CG-CZ 4.35Å; R105-F109 WeakPolarHBondContact O-CD2 3.22Å; R105-F109 PolarHBondContact O-N 3.16Å; R105-F109 VanDerWaalsContact O-N 3.15Å; L106-F109 PolarHBondContact O-N 2.99Å; F109-A112 PolarHBondContact O-N 3.4Å; F109-F113 HydrophobicContact CB-CD2 3.96Å; F109-F113 HydrophobicContact CB-CE2 3.87Å; F109-F113 HydrophobicContact CD1-CD2 4.45Å; F109-F113 AromaticContact CD1-CE2 3.57Å; F109-F113 HydrophobicContact CD1-CE2 3.57Å; F109-F113 AromaticContact CD1-CZ 3.93Å; F109-F113 HydrophobicContact CD1-CZ 3.93Å; F109-F113 HydrophobicContact CE1-CE2 4.44Å; F109-F113 AromaticContact CG-CE2 4Å; F109-F113 HydrophobicContact CG-CE2 4Å; F109-F113 WeakPolarHBondContact O-CB 3.22Å; F109-F113 VanDerWaalsContact O-CD2 3.27Å; F109-F113 WeakPolarHBondContact O-CD2 3.5Å; F109-F113 WeakPolarHBondContact O-CG 3.49Å; F109-F113 PolarHBondContact O-N 3.09Å; F109-I210 HydrophobicContact CD1-CG2 4.1Å; F109-I210 HydrophobicContact CD2-CG2 3.92Å; F109-I210 HydrophobicContact CE1-CG2 4.17Å; F109-I210 HydrophobicContact CE2-CG2 3.94Å; F109-I210 HydrophobicContact CG-CG2 3.98Å; F109-I210 HydrophobicContact CZ-CG2 4.08Å; F109-L211 HydrophobicContact CB-CD2 3.68Å; F109-E214 HydrophobicContact CD2-CG 3.71Å; F109-E214 HydrophobicContact CE2-CG 3.74Å
110I97Very high96.2Very high0 Ų049 Ų490%025%0.249CC..Hα-helixtrans-61-47.2177.2-69.8162.1000110.1L106 A107 A112 F113 C114 R125 I128 V129 I132 L211 V323L106-I110 HydrophobicContact CD1-CD1 3.94Å; L106-I110 HydrophobicContact CD1-CG1 4.1Å; L106-I110 HydrophobicContact CG-CD1 3.92Å; L106-I110 WeakPolarHBondContact O-CD1 3.48Å; L106-I110 WeakPolarHBondContact O-CG1 3.06Å; L106-I110 PolarHBondContact O-N 3.34Å; A107-I110 PolarHBondContact O-N 3.01Å; I110-A112 VanDerWaalsContact C-N 3.31Å; I110-A112 PolarHBondContact O-N 3.26Å; I110-F113 PolarHBondContact O-N 2.71Å; I110-C114 HydrophobicContact CG2-CB 4.46Å; I110-C114 WeakPolarHBondContact O-CB 3.41Å; I110-C114 PolarHBondContact O-N 3.3Å; I110-R125 HydrophobicContact CG2-CB 3.75Å; I110-R125 HydrophobicContact CG2-CG 3.57Å; I110-I128 HydrophobicContact CD1-CB 4.08Å; I110-I128 HydrophobicContact CD1-CG2 3.35Å; I110-I128 HydrophobicContact CG1-CG2 4.19Å; I110-V129 HydrophobicContact CD1-CG2 3.92Å; I110-I132 HydrophobicContact CD1-CD1 4.39Å; I110-L211 HydrophobicContact CG1-CD2 3.7Å; I110-V323 HydrophobicContact CB-CG1 4.13Å; I110-V323 HydrophobicContact CG2-CB 4.43Å; I110-V323 HydrophobicContact CG2-CG1 3.94Å
111T96Very high96.1Very high24 Ų2448.9 Ų48.915%0.14725%0.249CC..Hα-helixtrans-67.1-32.3179.2-162.30000112.3A107 L108 I322 H327A107-T111 PolarHBondContact O-N 3Å; L108-T111 VanDerWaalsContact O-CG2 3.25Å; L108-T111 WeakPolarHBondContact O-CG2 3.15Å; T111-I322 HydrophobicContact CG2-CG2 3.87Å; T111-I322 PolarHBondContact OG1-O 3.36Å; T111-H327 PolarHBondContact O-CE1 3.05Å; T111-H327 PolarHBondContact O-ND1 3.28Å; T111-H327 PolarHBondContact OG1-ND1 3.01Å
112A95.2Very high96.1Very high50 Ų5050 Ų5041%0.41326%0.255SS..Hα-helixtrans-74.4-37.8177.500000113.7L108 F109 I110 H115L108-A112 WeakPolarHBondContact O-CB 3.38Å; L108-A112 PolarHBondContact O-N 2.83Å; L108-A112 VanDerWaalsContact O-N 3.1Å; F109-A112 PolarHBondContact O-N 3.4Å; I110-A112 VanDerWaalsContact C-N 3.31Å; I110-A112 PolarHBondContact O-N 3.26Å; A112-H115 PolarHBondContact O-CE1 3.04Å
113F96.3Very high96.1Very high34 Ų3450.2 Ų50.215%0.14926%0.256CS..Hα-helixtrans-105-23.9-168.9-58.6-35.7000115.1F109 I110 H115 F204 A207 I210 L211F109-F113 HydrophobicContact CB-CD2 3.96Å; F109-F113 HydrophobicContact CB-CE2 3.87Å; F109-F113 HydrophobicContact CD1-CD2 4.45Å; F109-F113 AromaticContact CD1-CE2 3.57Å; F109-F113 HydrophobicContact CD1-CE2 3.57Å; F109-F113 AromaticContact CD1-CZ 3.93Å; F109-F113 HydrophobicContact CD1-CZ 3.93Å; F109-F113 HydrophobicContact CE1-CE2 4.44Å; F109-F113 AromaticContact CG-CE2 4Å; F109-F113 HydrophobicContact CG-CE2 4Å; F109-F113 WeakPolarHBondContact O-CB 3.22Å; F109-F113 VanDerWaalsContact O-CD2 3.27Å; F109-F113 WeakPolarHBondContact O-CD2 3.5Å; F109-F113 WeakPolarHBondContact O-CG 3.49Å; F109-F113 PolarHBondContact O-N 3.09Å; I110-F113 PolarHBondContact O-N 2.71Å; F113-H115 PolarHBondContact O-CD2 2.78Å; F113-H115 PolarHBondContact O-N 3.4Å; F113-F204 AromaticContact CD1-CZ 3.81Å; F113-F204 HydrophobicContact CD1-CZ 3.81Å; F113-F204 HydrophobicContact CE1-CE2 4.45Å; F113-F204 AromaticContact CE1-CZ 3.92Å; F113-F204 HydrophobicContact CE1-CZ 3.92Å; F113-A207 HydrophobicContact CB-CB 3.77Å; F113-A207 HydrophobicContact CD1-CB 4.1Å; F113-A207 HydrophobicContact CD2-CB 3.73Å; F113-A207 HydrophobicContact CE2-CB 4.33Å; F113-A207 HydrophobicContact CG-CB 3.6Å; F113-I210 HydrophobicContact CE2-CB 4.22Å; F113-I210 HydrophobicContact CE2-CD1 4.14Å; F113-I210 HydrophobicContact CE2-CG2 3.95Å; F113-I210 HydrophobicContact CZ-CD1 4.11Å; F113-L211 HydrophobicContact CB-CD1 4.45Å; F113-L211 HydrophobicContact CD2-CD1 4.45Å; F113-L211 HydrophobicContact CD2-CD2 4.47Å; F113-L211 HydrophobicContact CD2-CG 4.23Å
114C96.3Very high96.1Very high2 Ų250.2 Ų50.21%0.01426%0.256CS..BIsolated β-bridgetrans-95.793.4178.4-173.40000110.1I110 R125 I202 H327I110-C114 HydrophobicContact CG2-CB 4.46Å; I110-C114 WeakPolarHBondContact O-CB 3.41Å; I110-C114 PolarHBondContact O-N 3.3Å; C114-R125 HydrophobicContact CB-CG 3.73Å; C114-R125 PolarHBondContact O-NH1 2.6Å; C114-I202 HydrophobicContact CB-CG1 4.37Å; C114-H327 PolarHBondContact O-CE1 2.83Å; C114-H327 PolarHBondContact O-NE2 2.77Å
115H94.7Very high96.1Very high35 Ų3548.6 Ų48.616%0.16225%0.247CC..  trans-80.4150.5-171.6-62.4-74.4000113.7A112 F113 P121 Y201 R203 H328A112-H115 PolarHBondContact O-CE1 3.04Å; F113-H115 PolarHBondContact O-CD2 2.78Å; F113-H115 PolarHBondContact O-N 3.4Å; H115-P121 WeakPolarHBondContact O-CB 3.46Å; H115-Y201 PolarHBondContact CD2-O 3.42Å; H115-Y201 PolarHBondContact N-O 3.31Å; H115-Y201 WeakPolarHBondContact O-CD1 3.49Å; H115-R203 PolarHBondContact CD2-NE 3.35Å; H115-R203 VanDerWaalsContact CD2-NE 3.33Å; H115-H328 AromaticContact ND1-CE1 3.88Å; H115-H328 AromaticContact ND1-NE2 3.63Å
116G92.8Very high96.1Very high27 Ų2745.6 Ų45.628%0.27824%0.236SC..  trans114.3142.416600000113.1P121 R125G116-P121 WeakPolarHBondContact O-CG 3.47Å; G116-R125 PolarHBondContact O-NH1 3.37Å
117N91.6Very high96.2Very high113 Ų11347.6 Ų47.660%0.60425%0.247SC*.  trans-102.40.1-177.1-63.2-10000112.9H327N117-H327 PolarHBondContact OD1-CD2 3.27Å; N117-H327 VanDerWaalsContact OD1-CD2 3.28Å
118A94.6Very high96.2Very high63 Ų6347.6 Ų47.652%0.52125%0.247SC..SBendtrans-68.1163.9174.900000111.2R120 P121 T122A118-R120 VanDerWaalsContact C-N 3.28Å; A118-R120 PolarHBondContact O-N 2.74Å; A118-P121 HydrophobicContact CB-CG 4.21Å; A118-P121 WeakPolarHBondContact O-CD 2.84Å; A118-P121 VanDerWaalsContact O-CG 3.27Å; A118-P121 WeakPolarHBondContact O-CG 3.25Å; A118-T122 PolarHBondContact O-N 3.16Å; A118-T122 PolarHBondContact O-OG1 2.65Å
119E95.6Very high96.2Very high130 Ų13042.9 Ų42.961%0.60722%0.222SC*.Hα-helixtrans-56.4-39-177.2-168.5-166.6157.800113.1R123E119-R123 WeakPolarHBondContact O-CB 3.3Å; E119-R123 VanDerWaalsContact O-CG 3.32Å; E119-R123 WeakPolarHBondContact O-CG 3.41Å; E119-R123 PolarHBondContact O-N 3.26Å; E119-R123 IonicContact OE1-CZ 3.85Å; E119-R123 IonicContact OE1-NE 2.68Å; E119-R123 IonicContact OE1-NH1 3.96Å; E119-R123 PolarHBondContact OE1-NH1 3.11Å; E119-R123 IonicContact OE1-NH2 3.65Å; E119-R123 PolarHBondContact OE1-NH2 3.49Å; E119-R123 IonicContact OE2-NH2 3.55Å
120R96.5Very high96.3Very high95 Ų9541.2 Ų41.236%0.35821%0.214SC..Hα-helixtrans-63.4-57.2-178.4-178.463.2175.2178.50.1113.4A118 T122 R123 I124 E199 Y201A118-R120 VanDerWaalsContact C-N 3.28Å; A118-R120 PolarHBondContact O-N 2.74Å; R120-T122 VanDerWaalsContact C-N 3.31Å; R120-T122 PolarHBondContact O-N 3.23Å; R120-R123 PolarHBondContact O-N 3.01Å; R120-I124 HydrophobicContact CG-CD1 4.33Å; R120-I124 WeakPolarHBondContact O-CG1 3.46Å; R120-I124 PolarHBondContact O-N 3.44Å; R120-E199 WeakPolarHBondContact CG-OE2 3.21Å; R120-E199 IonicContact CZ-OE1 3.6Å; R120-E199 IonicContact CZ-OE2 2.69Å; R120-E199 IonicContact NE-OE1 3.8Å; R120-E199 IonicContact NE-OE2 2.66Å; R120-E199 PolarHBondContact NE-OE2 2.96Å; R120-E199 IonicContact NH2-OE1 3.31Å; R120-E199 PolarHBondContact NH2-OE1 2.93Å; R120-E199 IonicContact NH2-OE2 2.8Å; R120-Y201 HydrophobicContact CB-CE2 4.41Å; R120-Y201 HydrophobicContact CG-CE2 3.65Å; R120-Y201 WeakPolarHBondContact CG-OH 3.44Å
121P95.8Very high96.3Very high1 Ų142.4 Ų42.41%0.00622%0.219CC..Hα-helixtrans-63-36.4177.522.8-32.9000112.3H115 G116 A118 R123 I124 R125 Y201H115-P121 WeakPolarHBondContact O-CB 3.46Å; G116-P121 WeakPolarHBondContact O-CG 3.47Å; A118-P121 HydrophobicContact CB-CG 4.21Å; A118-P121 WeakPolarHBondContact O-CD 2.84Å; A118-P121 VanDerWaalsContact O-CG 3.27Å; A118-P121 WeakPolarHBondContact O-CG 3.25Å; P121-R123 PolarHBondContact O-N 3.07Å; P121-I124 WeakPolarHBondContact O-CB 3.47Å; P121-I124 PolarHBondContact O-N 2.9Å; P121-R125 WeakPolarHBondContact O-CG 3.46Å; P121-R125 PolarHBondContact O-N 3.39Å; P121-Y201 HydrophobicContact CB-CD1 3.83Å; P121-Y201 HydrophobicContact CB-CD2 4.35Å; P121-Y201 HydrophobicContact CB-CE1 4.06Å; P121-Y201 HydrophobicContact CB-CG 4Å; P121-Y201 HydrophobicContact CG-CD1 4.1Å; P121-Y201 HydrophobicContact CG-CE1 3.89Å
122T96.7Very high96.4Very high24 Ų2441.4 Ų41.415%0.14721%0.212CC..Hα-helixtrans-60.9-44.2173.6-60.20000111.9A118 R120 I124 R125 R126 D324A118-T122 PolarHBondContact O-N 3.16Å; A118-T122 PolarHBondContact O-OG1 2.65Å; R120-T122 VanDerWaalsContact C-N 3.31Å; R120-T122 PolarHBondContact O-N 3.23Å; T122-I124 PolarHBondContact O-N 3.04Å; T122-R125 PolarHBondContact O-N 3.42Å; T122-R125 PolarHBondContact OG1-NH2 3.02Å; T122-R126 HydrophobicContact CG2-CG 4.36Å; T122-R126 WeakPolarHBondContact O-CB 3.3Å; T122-R126 VanDerWaalsContact O-CG 3.3Å; T122-R126 WeakPolarHBondContact O-CG 3.38Å; T122-R126 PolarHBondContact O-N 3.29Å; T122-D324 WeakPolarHBondContact CG2-OD1 3.43Å
123R96.9Very high96.6Very high111 Ų11139.1 Ų39.142%0.41919%0.194SC..Hα-helixtrans-61.5-41.1173.8-79.5-171.6-65.1-150.1-8.7112.6E119 R120 P121 N127E119-R123 WeakPolarHBondContact O-CB 3.3Å; E119-R123 VanDerWaalsContact O-CG 3.32Å; E119-R123 WeakPolarHBondContact O-CG 3.41Å; E119-R123 PolarHBondContact O-N 3.26Å; E119-R123 IonicContact OE1-CZ 3.85Å; E119-R123 IonicContact OE1-NE 2.68Å; E119-R123 IonicContact OE1-NH1 3.96Å; E119-R123 PolarHBondContact OE1-NH1 3.11Å; E119-R123 IonicContact OE1-NH2 3.65Å; E119-R123 PolarHBondContact OE1-NH2 3.49Å; E119-R123 IonicContact OE2-NH2 3.55Å; R120-R123 PolarHBondContact O-N 3.01Å; P121-R123 PolarHBondContact O-N 3.07Å; R123-N127 VanDerWaalsContact O-CB 3.26Å; R123-N127 WeakPolarHBondContact O-CB 3.47Å; R123-N127 PolarHBondContact O-N 2.79Å; R123-N127 PolarHBondContact O-ND2 2.92Å
124I97.7Very high96.7Very high2 Ų237.5 Ų37.51%0.0119%0.186CC..Hα-helixtrans-58.8-53.7176-72.3171.2000109.9R120 P121 T122 R126 N127 I128 A196 Y201R120-I124 HydrophobicContact CG-CD1 4.33Å; R120-I124 WeakPolarHBondContact O-CG1 3.46Å; R120-I124 PolarHBondContact O-N 3.44Å; P121-I124 WeakPolarHBondContact O-CB 3.47Å; P121-I124 PolarHBondContact O-N 2.9Å; T122-I124 PolarHBondContact O-N 3.04Å; I124-R126 PolarHBondContact O-N 3.19Å; I124-N127 PolarHBondContact O-N 2.81Å; I124-I128 HydrophobicContact CG2-CD1 3.83Å; I124-I128 WeakPolarHBondContact O-CG1 3.22Å; I124-I128 PolarHBondContact O-N 3.44Å; I124-A196 HydrophobicContact CD1-CB 4.19Å; I124-A196 HydrophobicContact CG2-CB 3.75Å; I124-Y201 HydrophobicContact CD1-CD2 3.59Å; I124-Y201 HydrophobicContact CD1-CE2 3.83Å
125R97.8Very high96.8Very high2 Ų237.4 Ų37.41%0.00819%0.186CC..Hα-helixtrans-59-47.5-179.3-67.7-164.1-58.3-79.5-6.3112.3I110 C114 G116 P121 T122 N127 I128 V129 V323 H327I110-R125 HydrophobicContact CG2-CB 3.75Å; I110-R125 HydrophobicContact CG2-CG 3.57Å; C114-R125 HydrophobicContact CB-CG 3.73Å; C114-R125 PolarHBondContact O-NH1 2.6Å; G116-R125 PolarHBondContact O-NH1 3.37Å; P121-R125 WeakPolarHBondContact O-CG 3.46Å; P121-R125 PolarHBondContact O-N 3.39Å; T122-R125 PolarHBondContact O-N 3.42Å; T122-R125 PolarHBondContact OG1-NH2 3.02Å; R125-N127 PolarHBondContact O-N 3.29Å; R125-I128 PolarHBondContact O-N 2.97Å; R125-V129 PolarHBondContact O-N 3.34Å; R125-V323 HydrophobicContact CB-CB 4.1Å; R125-V323 HydrophobicContact CB-CG2 4.34Å; R125-V323 PolarHBondContact NE-O 3.08Å; R125-H327 VanDerWaalsContact CZ-CG 3.43Å; R125-H327 VanDerWaalsContact CZ-NE2 3.29Å; R125-H327 PolarHBondContact NH1-CD2 3.26Å; R125-H327 PolarHBondContact NH1-NE2 3.06Å; R125-H327 PolarHBondContact NH2-CD2 2.92Å
126R97.7Very high96.9Very high86 Ų8635.8 Ų35.833%0.32518%0.178SC..Hα-helixtrans-62.8-40.9178.4-71.4-17966.980.69.1112.1T122 I124 R130 Y320 D324T122-R126 HydrophobicContact CG2-CG 4.36Å; T122-R126 WeakPolarHBondContact O-CB 3.3Å; T122-R126 VanDerWaalsContact O-CG 3.3Å; T122-R126 WeakPolarHBondContact O-CG 3.38Å; T122-R126 PolarHBondContact O-N 3.29Å; I124-R126 PolarHBondContact O-N 3.19Å; R126-R130 WeakPolarHBondContact O-CB 3.23Å; R126-R130 PolarHBondContact O-N 3.27Å; R126-Y320 HydrophobicContact CB-CD1 4.44Å; R126-Y320 HydrophobicContact CB-CE1 4.03Å; R126-Y320 HydrophobicContact CG-CD1 4.22Å; R126-Y320 HydrophobicContact CG-CE1 4.29Å; R126-D324 WeakPolarHBondContact CD-OD2 3.5Å; R126-D324 HydrophobicContact CG-CB 4.38Å; R126-D324 IonicContact CZ-OD2 2.73Å; R126-D324 IonicContact NE-OD2 3.68Å; R126-D324 IonicContact NH1-OD2 2.67Å; R126-D324 PolarHBondContact NH1-OD2 3.39Å
127N97.7Very high97.1Very high46 Ų4634.6 Ų34.625%0.24617%0.166CC..Hα-helixtrans-69.4-40.2178.6-82.8-30.5000112.9R123 I124 R125 V129 R130 Y131R123-N127 VanDerWaalsContact O-CB 3.26Å; R123-N127 WeakPolarHBondContact O-CB 3.47Å; R123-N127 PolarHBondContact O-N 2.79Å; R123-N127 PolarHBondContact O-ND2 2.92Å; I124-N127 PolarHBondContact O-N 2.81Å; R125-N127 PolarHBondContact O-N 3.29Å; N127-V129 VanDerWaalsContact C-N 3.33Å; N127-V129 PolarHBondContact O-N 3.17Å; N127-R130 PolarHBondContact O-N 3.49Å; N127-R130 PolarHBondContact OD1-NE 3.21Å; N127-R130 PolarHBondContact OD1-NH2 2.83Å; N127-Y131 HydrophobicContact CB-CE2 4.47Å; N127-Y131 WeakPolarHBondContact O-CB 3.49Å; N127-Y131 WeakPolarHBondContact O-CD2 3.46Å; N127-Y131 VanDerWaalsContact O-CG 3.23Å; N127-Y131 PolarHBondContact O-N 3.37Å
128I98.2Very high97.4Very high2 Ų229.6 Ų29.61%0.0114%0.139CC..Hα-helixtrans-57.3-51175.1-67.1165.9000109.6I110 I124 R125 R130 Y131 I132 A189 M192 V193I110-I128 HydrophobicContact CD1-CB 4.08Å; I110-I128 HydrophobicContact CD1-CG2 3.35Å; I110-I128 HydrophobicContact CG1-CG2 4.19Å; I124-I128 HydrophobicContact CG2-CD1 3.83Å; I124-I128 WeakPolarHBondContact O-CG1 3.22Å; I124-I128 PolarHBondContact O-N 3.44Å; R125-I128 PolarHBondContact O-N 2.97Å; I128-R130 PolarHBondContact O-N 2.88Å; I128-Y131 PolarHBondContact O-N 3.41Å; I128-I132 HydrophobicContact CG2-CD1 3.79Å; I128-I132 VanDerWaalsContact O-CD1 3.24Å; I128-I132 WeakPolarHBondContact O-CD1 3.13Å; I128-I132 VanDerWaalsContact O-CG1 3.32Å; I128-I132 WeakPolarHBondContact O-CG1 3.34Å; I128-I132 PolarHBondContact O-N 3.25Å; I128-I132 VanDerWaalsContact O-N 3.08Å; I128-A189 HydrophobicContact CG2-CB 4.35Å; I128-M192 HydrophobicContact CD1-CB 4.14Å; I128-M192 HydrophobicContact CG1-CB 3.61Å; I128-M192 HydrophobicContact CG1-CG 4.45Å; I128-V193 HydrophobicContact CD1-CG2 3.98Å
129V98Very high97.5Very high1 Ų126.7 Ų26.71%0.00611%0.114CC..Hα-helixtrans-61.3-41.9177.8166.30000112.4I110 R125 N127 Y131 I132 N133 S319 V323I110-V129 HydrophobicContact CD1-CG2 3.92Å; R125-V129 PolarHBondContact O-N 3.34Å; N127-V129 VanDerWaalsContact C-N 3.33Å; N127-V129 PolarHBondContact O-N 3.17Å; V129-Y131 PolarHBondContact O-N 3.33Å; V129-I132 PolarHBondContact O-N 3.38Å; V129-N133 WeakPolarHBondContact CG1-ND2 3.45Å; V129-N133 PolarHBondContact O-N 3.04Å; V129-N133 PolarHBondContact O-ND2 3.14Å; V129-S319 WeakPolarHBondContact CG1-OG 3.31Å; V129-V323 HydrophobicContact CB-CG2 4.33Å; V129-V323 HydrophobicContact CG2-CB 4.29Å; V129-V323 HydrophobicContact CG2-CG1 3.54Å; V129-V323 HydrophobicContact CG2-CG2 3.86Å
130R98.3Very high97.5Very high17 Ų1720.5 Ų20.56%0.0649%0.086CC..Hα-helixtrans-61.2-44.2176.5-170173.354.3770.1111.6R126 N127 I128 I132 N133 L134 L162 E167 Y320R126-R130 WeakPolarHBondContact O-CB 3.23Å; R126-R130 PolarHBondContact O-N 3.27Å; N127-R130 PolarHBondContact O-N 3.49Å; N127-R130 PolarHBondContact OD1-NE 3.21Å; N127-R130 PolarHBondContact OD1-NH2 2.83Å; I128-R130 PolarHBondContact O-N 2.88Å; R130-I132 VanDerWaalsContact C-N 3.35Å; R130-I132 PolarHBondContact O-N 3.48Å; R130-N133 PolarHBondContact O-N 2.78Å; R130-L134 VanDerWaalsContact O-CB 3.24Å; R130-L134 WeakPolarHBondContact O-CB 3.36Å; R130-L134 PolarHBondContact O-N 3.28Å; R130-L162 WeakPolarHBondContact CG-O 3.41Å; R130-L162 PolarHBondContact NH1-O 2.98Å; R130-L162 VanDerWaalsContact NH1-O 3.09Å; R130-E167 IonicContact CZ-OE1 2.99Å; R130-E167 IonicContact CZ-OE2 3.64Å; R130-E167 VanDerWaalsContact NH1-CD 3.33Å; R130-E167 IonicContact NH1-OE1 2.71Å; R130-E167 PolarHBondContact NH1-OE1 3.02Å; R130-E167 IonicContact NH1-OE2 2.71Å; R130-E167 PolarHBondContact NH1-OE2 3.21Å; R130-E167 IonicContact NH2-OE1 2.79Å; R130-E167 PolarHBondContact NH2-OE1 3.45Å; R130-E167 IonicContact NH2-OE2 3.55Å; R130-Y320 VanDerWaalsContact CB-OH 3.31Å; R130-Y320 WeakPolarHBondContact CB-OH 3.26Å; R130-Y320 WeakPolarHBondContact CD-OH 3.19Å; R130-Y320 WeakPolarHBondContact CG-OH 3.44Å
131Y98.7Very high97.5Very high26 Ų2617.7 Ų17.710%0.1028%0.075CC..Hα-helixtrans-63.5-38.4178.1-69.6-22.7000113.2N127 I128 V129 L134 S135 E167 P185 W188 A189 M192N127-Y131 HydrophobicContact CB-CE2 4.47Å; N127-Y131 WeakPolarHBondContact O-CB 3.49Å; N127-Y131 WeakPolarHBondContact O-CD2 3.46Å; N127-Y131 VanDerWaalsContact O-CG 3.23Å; N127-Y131 PolarHBondContact O-N 3.37Å; I128-Y131 PolarHBondContact O-N 3.41Å; V129-Y131 PolarHBondContact O-N 3.33Å; Y131-L134 PolarHBondContact O-N 3.37Å; Y131-S135 WeakPolarHBondContact O-CB 3.01Å; Y131-S135 PolarHBondContact O-N 3.39Å; Y131-E167 WeakPolarHBondContact CE1-OE1 3.35Å; Y131-E167 PolarHBondContact OH-OE1 2.88Å; Y131-P185 WeakPolarHBondContact CB-O 3.12Å; Y131-P185 VanDerWaalsContact O-CB 3.23Å; Y131-P185 WeakPolarHBondContact O-CB 3.38Å; Y131-W188 AromaticContact CD1-CE3 3.93Å; Y131-W188 HydrophobicContact CD1-CE3 3.93Å; Y131-W188 HydrophobicContact CD2-CB 3.63Å; Y131-W188 AromaticContact CE1-CE3 3.7Å; Y131-W188 HydrophobicContact CE1-CE3 3.7Å; Y131-W188 HydrophobicContact CE1-CZ3 4.35Å; Y131-W188 HydrophobicContact CE2-CB 3.47Å; Y131-W188 VanDerWaalsContact CE2-CB 3.47Å; Y131-W188 HydrophobicContact CG-CB 4.25Å; Y131-W188 HydrophobicContact CG-CE3 4.49Å; Y131-A189 HydrophobicContact CD2-CB 4.28Å; Y131-M192 HydrophobicContact CD2-CG 4.4Å; Y131-M192 HydrophobicContact CE2-CG 3.87Å
132I98.2Very high97.4Very high2 Ų218.9 Ų18.91%0.019%0.085CC..Hα-helixtrans-63.5-46.9174.6-64.2150.1000110.5P103 L106 I110 I128 V129 R130 L134 S135 Y136 L186 F218P103-I132 HydrophobicContact CB-CG2 4.41Å; L106-I132 HydrophobicContact CD2-CD1 3.15Å; L106-I132 HydrophobicContact CD2-CG1 3.83Å; L106-I132 HydrophobicContact CG-CD1 3.61Å; I110-I132 HydrophobicContact CD1-CD1 4.39Å; I128-I132 HydrophobicContact CG2-CD1 3.79Å; I128-I132 VanDerWaalsContact O-CD1 3.24Å; I128-I132 WeakPolarHBondContact O-CD1 3.13Å; I128-I132 VanDerWaalsContact O-CG1 3.32Å; I128-I132 WeakPolarHBondContact O-CG1 3.34Å; I128-I132 PolarHBondContact O-N 3.25Å; I128-I132 VanDerWaalsContact O-N 3.08Å; V129-I132 PolarHBondContact O-N 3.38Å; R130-I132 VanDerWaalsContact C-N 3.35Å; R130-I132 PolarHBondContact O-N 3.48Å; I132-L134 VanDerWaalsContact C-N 3.33Å; I132-L134 PolarHBondContact O-N 2.93Å; I132-S135 WeakPolarHBondContact O-CB 3.41Å; I132-S135 PolarHBondContact O-N 3.03Å; I132-Y136 WeakPolarHBondContact O-CB 3.44Å; I132-Y136 PolarHBondContact O-N 3.46Å; I132-L186 HydrophobicContact CG1-CD2 4.27Å; I132-F218 HydrophobicContact CG2-CD1 4.02Å; I132-F218 HydrophobicContact CG2-CD2 3.76Å; I132-F218 HydrophobicContact CG2-CE1 3.72Å; I132-F218 HydrophobicContact CG2-CE2 3.46Å; I132-F218 VanDerWaalsContact CG2-CE2 3.46Å; I132-F218 HydrophobicContact CG2-CG 4.05Å; I132-F218 HydrophobicContact CG2-CZ 3.45Å; I132-F218 VanDerWaalsContact CG2-CZ 3.45Å
133N98.2Very high97.3Very high3 Ų318.1 Ų18.12%0.0168%0.08CC..Hα-helixtrans-67.7-33.1177.4-72.8-64000112.5V129 R130 Y136 C137 L316 S319V129-N133 WeakPolarHBondContact CG1-ND2 3.45Å; V129-N133 PolarHBondContact O-N 3.04Å; V129-N133 PolarHBondContact O-ND2 3.14Å; R130-N133 PolarHBondContact O-N 2.78Å; N133-Y136 WeakPolarHBondContact O-CB 3.31Å; N133-Y136 PolarHBondContact O-N 2.94Å; N133-C137 WeakPolarHBondContact O-CB 3.41Å; N133-C137 PolarHBondContact O-N 3.27Å; N133-C137 PolarHBondContact O-SG 2.98Å; N133-L316 HydrophobicContact CB-CD1 4.1Å; N133-S319 PolarHBondContact ND2-OG 3.42Å
134L98.3Very high97.3Very high0 Ų012.8 Ų12.80%06%0.06CC..Hα-helixtrans-65.6-46.6174.6178.758.4000110.7R130 Y131 I132 Y136 C137 I138 L157 L162 M163 P185 W188R130-L134 VanDerWaalsContact O-CB 3.24Å; R130-L134 WeakPolarHBondContact O-CB 3.36Å; R130-L134 PolarHBondContact O-N 3.28Å; Y131-L134 PolarHBondContact O-N 3.37Å; I132-L134 VanDerWaalsContact C-N 3.33Å; I132-L134 PolarHBondContact O-N 2.93Å; L134-Y136 VanDerWaalsContact C-N 3.28Å; L134-Y136 PolarHBondContact O-N 2.88Å; L134-C137 PolarHBondContact O-N 3.35Å; L134-I138 HydrophobicContact CD1-CD1 4.02Å; L134-I138 HydrophobicContact CD1-CG1 4.2Å; L134-I138 HydrophobicContact CG-CD1 3.96Å; L134-I138 VanDerWaalsContact O-CG1 3.29Å; L134-I138 WeakPolarHBondContact O-CG1 3.43Å; L134-I138 PolarHBondContact O-N 2.87Å; L134-L157 HydrophobicContact CD1-CB 4.42Å; L134-L157 HydrophobicContact CD1-CD1 4.19Å; L134-L162 HydrophobicContact CD1-CB 4.09Å; L134-M163 HydrophobicContact CD1-CB 3.87Å; L134-M163 HydrophobicContact CD1-CE 4.08Å; L134-M163 HydrophobicContact CD1-CG 4.43Å; L134-M163 HydrophobicContact CD2-CB 4.02Å; L134-M163 HydrophobicContact CD2-CE 3.75Å; L134-M163 HydrophobicContact CD2-CG 3.97Å; L134-M163 HydrophobicContact CG-CE 4.23Å; L134-P185 HydrophobicContact CB-CB 4.33Å; L134-P185 HydrophobicContact CB-CG 4.36Å; L134-P185 HydrophobicContact CD2-CB 4.18Å; L134-P185 HydrophobicContact CD2-CG 3.85Å; L134-P185 HydrophobicContact CG-CB 4.29Å; L134-P185 HydrophobicContact CG-CG 3.83Å; L134-W188 HydrophobicContact CD2-CZ3 4.36Å
135S98Very high97.2Very high0 Ų014.1 Ų14.10%07%0.069CC..Hα-helixtrans-56.3-44.9172.5179.60000111.5Y131 I132 I138 A139 Y182 L186 L222Y131-S135 WeakPolarHBondContact O-CB 3.01Å; Y131-S135 PolarHBondContact O-N 3.39Å; I132-S135 WeakPolarHBondContact O-CB 3.41Å; I132-S135 PolarHBondContact O-N 3.03Å; S135-I138 PolarHBondContact O-N 3.48Å; S135-A139 VanDerWaalsContact O-CB 3.26Å; S135-A139 WeakPolarHBondContact O-CB 3.26Å; S135-A139 PolarHBondContact O-N 2.56Å; S135-Y182 WeakPolarHBondContact CA-O 3.45Å; S135-Y182 VanDerWaalsContact CB-O 3.23Å; S135-Y182 WeakPolarHBondContact CB-O 3.44Å; S135-Y182 PolarHBondContact OG-O 3Å; S135-L186 WeakPolarHBondContact OG-CD1 3.2Å; S135-L186 WeakPolarHBondContact OG-CG 3.49Å; S135-L222 WeakPolarHBondContact OG-CD1 3.36Å
136Y97.7Very high97Very high1 Ų116.1 Ų16.10%0.0048%0.077CC..Hα-helixtrans-58.4-47.5175.8-168.7-103.5000111.8L100 P101 I132 N133 L134 A139 L140 F218 L222 I312L100-Y136 HydrophobicContact CD2-CE2 4.5Å; P101-Y136 HydrophobicContact CG-CD2 3.76Å; P101-Y136 HydrophobicContact CG-CE2 3.72Å; P101-Y136 VanDerWaalsContact O-CE2 3.28Å; P101-Y136 WeakPolarHBondContact O-CE2 3.15Å; I132-Y136 WeakPolarHBondContact O-CB 3.44Å; I132-Y136 PolarHBondContact O-N 3.46Å; N133-Y136 WeakPolarHBondContact O-CB 3.31Å; N133-Y136 PolarHBondContact O-N 2.94Å; L134-Y136 VanDerWaalsContact C-N 3.28Å; L134-Y136 PolarHBondContact O-N 2.88Å; Y136-A139 PolarHBondContact O-N 3.08Å; Y136-L140 HydrophobicContact CD1-CD1 3.41Å; Y136-L140 VanDerWaalsContact CD1-CD1 3.41Å; Y136-L140 HydrophobicContact CD1-CG 4.22Å; Y136-L140 HydrophobicContact CE1-CD1 3.03Å; Y136-L140 HydrophobicContact CE1-CG 4.09Å; Y136-L140 HydrophobicContact CE2-CD1 4.26Å; Y136-L140 HydrophobicContact CG-CD1 4.17Å; Y136-L140 VanDerWaalsContact CZ-CD1 3.5Å; Y136-L140 WeakPolarHBondContact O-CB 3.34Å; Y136-L140 VanDerWaalsContact O-CG 3.25Å; Y136-L140 WeakPolarHBondContact O-CG 3.28Å; Y136-L140 PolarHBondContact O-N 2.89Å; Y136-F218 HydrophobicContact CD2-CE1 4.01Å; Y136-F218 AromaticContact CD2-CZ 3.68Å; Y136-F218 HydrophobicContact CD2-CZ 3.68Å; Y136-F218 HydrophobicContact CG-CZ 4.25Å; Y136-L222 HydrophobicContact CD2-CD2 3.89Å; Y136-L222 HydrophobicContact CE2-CD2 4.41Å; Y136-I312 HydrophobicContact CD1-CG1 4.18Å; Y136-I312 HydrophobicContact CE1-CG1 4.01Å
137C97.5Very high96.9Very high2 Ų212 Ų121%0.0146%0.061CC..Hα-helixtrans-68.3-40.8-179.5-66.80000112.8N133 L134 A139 L140 R141 L157 L162N133-C137 WeakPolarHBondContact O-CB 3.41Å; N133-C137 PolarHBondContact O-N 3.27Å; N133-C137 PolarHBondContact O-SG 2.98Å; L134-C137 PolarHBondContact O-N 3.35Å; C137-A139 VanDerWaalsContact C-N 3.33Å; C137-L140 PolarHBondContact O-N 2.89Å; C137-R141 VanDerWaalsContact O-CB 3.27Å; C137-R141 WeakPolarHBondContact O-CB 3.17Å; C137-R141 PolarHBondContact O-N 2.99Å; C137-L157 HydrophobicContact CB-CD2 4.06Å; C137-L162 HydrophobicContact CB-CD1 4.09Å
138I97Very high96.8Very high8 Ų815.8 Ų15.84%0.0417%0.072CC..Hα-helixtrans-61.7-45.4175.4-65.7167.2000109.8L134 S135 A142 L157 M163 Y171 T180 P185L134-I138 HydrophobicContact CD1-CD1 4.02Å; L134-I138 HydrophobicContact CD1-CG1 4.2Å; L134-I138 HydrophobicContact CG-CD1 3.96Å; L134-I138 VanDerWaalsContact O-CG1 3.29Å; L134-I138 WeakPolarHBondContact O-CG1 3.43Å; L134-I138 PolarHBondContact O-N 2.87Å; S135-I138 PolarHBondContact O-N 3.48Å; I138-A142 PolarHBondContact O-N 3.42Å; I138-L157 HydrophobicContact CG1-CD1 3.7Å; I138-M163 HydrophobicContact CD1-CE 4.07Å; I138-Y171 HydrophobicContact CD1-CD2 4.5Å; I138-Y171 HydrophobicContact CD1-CE2 3.93Å; I138-T180 HydrophobicContact CG2-CG2 4.07Å; I138-P185 HydrophobicContact CD1-CG 3.95Å
139A96.5Very high96.6Very high1 Ų121.2 Ų21.21%0.00810%0.101CC..Hα-helixtrans-60.3-52.7176.800000111.8S135 Y136 C137 R141 A142 I143 Y182 L222 F226S135-A139 VanDerWaalsContact O-CB 3.26Å; S135-A139 WeakPolarHBondContact O-CB 3.26Å; S135-A139 PolarHBondContact O-N 2.56Å; Y136-A139 PolarHBondContact O-N 3.08Å; C137-A139 VanDerWaalsContact C-N 3.33Å; A139-R141 PolarHBondContact O-N 3.24Å; A139-A142 WeakPolarHBondContact O-CB 3.32Å; A139-A142 PolarHBondContact O-N 3.39Å; A139-A142 VanDerWaalsContact O-N 3.09Å; A139-I143 PolarHBondContact O-N 3.19Å; A139-Y182 HydrophobicContact CB-CD2 4.22Å; A139-Y182 HydrophobicContact CB-CG 4.14Å; A139-L222 HydrophobicContact CB-CD1 4Å; A139-L222 HydrophobicContact CB-CD2 3.85Å; A139-L222 HydrophobicContact CB-CG 4.36Å; A139-F226 HydrophobicContact CB-CD2 4.41Å; A139-F226 HydrophobicContact CB-CE2 3.54Å; A139-F226 HydrophobicContact CB-CZ 4.34Å
140L96.5Very high96.5Very high1 Ų125 Ų251%0.00512%0.115CC..Hα-helixtrans-64.9-36.6-176.8-72.8179.8000113.3L100 Y136 C137 A142 I143 S144 A147 F299 I308 I312L100-L140 HydrophobicContact CD2-CD2 4.04Å; Y136-L140 HydrophobicContact CD1-CD1 3.41Å; Y136-L140 VanDerWaalsContact CD1-CD1 3.41Å; Y136-L140 HydrophobicContact CD1-CG 4.22Å; Y136-L140 HydrophobicContact CE1-CD1 3.03Å; Y136-L140 HydrophobicContact CE1-CG 4.09Å; Y136-L140 HydrophobicContact CE2-CD1 4.26Å; Y136-L140 HydrophobicContact CG-CD1 4.17Å; Y136-L140 VanDerWaalsContact CZ-CD1 3.5Å; Y136-L140 WeakPolarHBondContact O-CB 3.34Å; Y136-L140 VanDerWaalsContact O-CG 3.25Å; Y136-L140 WeakPolarHBondContact O-CG 3.28Å; Y136-L140 PolarHBondContact O-N 2.89Å; C137-L140 PolarHBondContact O-N 2.89Å; L140-A142 PolarHBondContact O-N 2.95Å; L140-I143 HydrophobicContact CD2-CD1 3.9Å; L140-I143 HydrophobicContact CD2-CG1 4.34Å; L140-I143 WeakPolarHBondContact O-CG1 3.32Å; L140-I143 PolarHBondContact O-N 2.79Å; L140-S144 WeakPolarHBondContact O-CA 3.3Å; L140-S144 VanDerWaalsContact O-CB 3.29Å; L140-S144 WeakPolarHBondContact O-CB 3.36Å; L140-S144 PolarHBondContact O-N 3.2Å; L140-A147 HydrophobicContact CB-CB 4.06Å; L140-F299 HydrophobicContact CD2-CE1 4.32Å; L140-I308 HydrophobicContact CB-CG2 4.21Å; L140-I308 HydrophobicContact CD1-CG2 3.54Å; L140-I308 HydrophobicContact CD2-CG2 4.19Å; L140-I308 HydrophobicContact CG-CG2 4.21Å; L140-I312 HydrophobicContact CD1-CD1 3.86Å; L140-I312 HydrophobicContact CD1-CG1 3.67Å
141R95.6Very high96.4Very high36 Ų3624.7 Ų24.714%0.13611%0.114CC..Hα-helixtrans-55.2-37.3172.3149.8-167.8-80.3-103.75112.4C137 A139 I143 R148 F151 P152 T153C137-R141 VanDerWaalsContact O-CB 3.27Å; C137-R141 WeakPolarHBondContact O-CB 3.17Å; C137-R141 PolarHBondContact O-N 2.99Å; A139-R141 PolarHBondContact O-N 3.24Å; R141-I143 VanDerWaalsContact C-N 3.34Å; R141-R148 PolarHBondContact O-NE 2.92Å; R141-F151 VanDerWaalsContact CZ-C 3.47Å; R141-F151 PolarHBondContact NE-O 3.37Å; R141-F151 VanDerWaalsContact NE-O 3.12Å; R141-F151 PolarHBondContact NH1-O 3.21Å; R141-F151 VanDerWaalsContact NH2-CB 3.32Å; R141-F151 PolarHBondContact NH2-O 3.38Å; R141-P152 VanDerWaalsContact CZ-C 3.47Å; R141-P152 PolarHBondContact NH1-O 3.17Å; R141-T153 VanDerWaalsContact NH2-CA 3.31Å; R141-T153 PolarHBondContact NH2-O 3.2Å
142A94.6Very high96.2Very high26 Ų2626.5 Ų26.522%0.21513%0.129CC..Hα-helixtrans-70.7-34.6-177.100000111.4I138 A139 L140 R148 T180 F226I138-A142 PolarHBondContact O-N 3.42Å; A139-A142 WeakPolarHBondContact O-CB 3.32Å; A139-A142 PolarHBondContact O-N 3.39Å; A139-A142 VanDerWaalsContact O-N 3.09Å; L140-A142 PolarHBondContact O-N 2.95Å; A142-R148 PolarHBondContact O-NH2 3.04Å; A142-T180 HydrophobicContact CB-CG2 4.11Å; A142-F226 HydrophobicContact CB-CE1 3.86Å; A142-F226 HydrophobicContact CB-CZ 3.7Å
143I95Very high96.1Very high7 Ų729.2 Ų29.24%0.03615%0.146CC..Hα-helixtrans-103.3-29.6-173.262.4172.2000114.3A139 L140 R141 I225 F226 D229 F299A139-I143 PolarHBondContact O-N 3.19Å; L140-I143 HydrophobicContact CD2-CD1 3.9Å; L140-I143 HydrophobicContact CD2-CG1 4.34Å; L140-I143 WeakPolarHBondContact O-CG1 3.32Å; L140-I143 PolarHBondContact O-N 2.79Å; R141-I143 VanDerWaalsContact C-N 3.34Å; I143-I225 HydrophobicContact CD1-CB 4.29Å; I143-I225 HydrophobicContact CD1-CG2 3.19Å; I143-F226 HydrophobicContact CG2-CD1 4.33Å; I143-F226 HydrophobicContact CG2-CE1 4.33Å; I143-D229 HydrophobicContact CB-CB 4.31Å; I143-D229 HydrophobicContact CG2-CB 3.72Å; I143-F299 HydrophobicContact CD1-CD1 4.04Å; I143-F299 HydrophobicContact CD1-CD2 4.5Å; I143-F299 HydrophobicContact CD1-CE1 3.88Å; I143-F299 HydrophobicContact CD1-CE2 4.36Å; I143-F299 HydrophobicContact CD1-CG 4.36Å; I143-F299 HydrophobicContact CD1-CZ 4.06Å; I143-F299 HydrophobicContact CG1-CD1 4.39Å
144S96.3Very high96Very high0 Ų031.6 Ų31.60%016%0.157CC..  trans-106.2127.4-173.8176.40000111.7L140 A147 R148 F299L140-S144 WeakPolarHBondContact O-CA 3.3Å; L140-S144 VanDerWaalsContact O-CB 3.29Å; L140-S144 WeakPolarHBondContact O-CB 3.36Å; L140-S144 PolarHBondContact O-N 3.2Å; S144-A147 PolarHBondContact O-N 2.98Å; S144-A147 PolarHBondContact OG-N 2.94Å; S144-R148 WeakPolarHBondContact O-CB 3.5Å; S144-R148 PolarHBondContact O-N 3.44Å; S144-F299 WeakPolarHBondContact CA-O 3.39Å; S144-F299 PolarHBondContact OG-O 3.41Å
145S94.6Very high95.9Very high30 Ų3035.4 Ų35.421%0.2118%0.175CC..Hα-helixtrans-57.2-52.1173.553.60000111.7A147 R148 L149 F299 G300 E301S145-A147 PolarHBondContact O-N 3.23Å; S145-R148 CarbonylContact O-C 3.48Å; S145-R148 WeakPolarHBondContact O-CB 3.44Å; S145-R148 PolarHBondContact O-N 3.48Å; S145-R148 VanDerWaalsContact O-N 3.08Å; S145-L149 WeakPolarHBondContact O-CG 3.33Å; S145-L149 PolarHBondContact O-N 2.69Å; S145-F299 PolarHBondContact N-O 2.97Å; S145-F299 VanDerWaalsContact N-O 3.15Å; S145-F299 PolarHBondContact OG-O 2.82Å; S145-F299 VanDerWaalsContact OG-O 3.13Å; S145-G300 WeakPolarHBondContact OG-CA 3.46Å; S145-G300 PolarHBondContact OG-O 3.5Å; S145-E301 VanDerWaalsContact OG-CG 3.23Å; S145-E301 WeakPolarHBondContact OG-CG 3.37Å
146R94.1Very high95.9Very high44 Ų4439 Ų3917%0.16619%0.191CC..Hα-helixtrans-57.4-46.3177.5-65.6-172178.8167.311.1112.5R148 L149 R150 E301 D302 E307R146-R148 VanDerWaalsContact C-N 3.28Å; R146-R148 PolarHBondContact O-N 3.03Å; R146-L149 PolarHBondContact O-N 3.09Å; R146-R150 PolarHBondContact O-N 3.44Å; R146-E301 HydrophobicContact CG-CG 4.04Å; R146-E301 PolarHBondContact NH2-O 3.28Å; R146-D302 PolarHBondContact NH2-O 3.32Å; R146-E307 IonicContact NH1-OE2 3.87Å; R146-E307 PolarHBondContact NH1-OE2 2.65Å
147A95.2Very high95.9Very high0 Ų039 Ų390%019%0.191CC..Hα-helixtrans-63.6-35.5177.600000112.2L140 S144 S145 F151 I308 I312L140-A147 HydrophobicContact CB-CB 4.06Å; S144-A147 PolarHBondContact O-N 2.98Å; S144-A147 PolarHBondContact OG-N 2.94Å; S145-A147 PolarHBondContact O-N 3.23Å; A147-F151 PolarHBondContact O-N 2.85Å; A147-I308 HydrophobicContact CB-CG2 4.06Å; A147-I312 HydrophobicContact CB-CD1 4.31Å
148R96Very high95.9Very high124 Ų12440.6 Ų40.647%0.46820%0.2SC..Hα-helixtrans-72.6-32.7176.5-161.5179.6-51.2162.310113.2R141 A142 S144 S145 R146 F151 P152R141-R148 PolarHBondContact O-NE 2.92Å; A142-R148 PolarHBondContact O-NH2 3.04Å; S144-R148 WeakPolarHBondContact O-CB 3.5Å; S144-R148 PolarHBondContact O-N 3.44Å; S145-R148 CarbonylContact O-C 3.48Å; S145-R148 WeakPolarHBondContact O-CB 3.44Å; S145-R148 PolarHBondContact O-N 3.48Å; S145-R148 VanDerWaalsContact O-N 3.08Å; R146-R148 VanDerWaalsContact C-N 3.28Å; R146-R148 PolarHBondContact O-N 3.03Å; R148-F151 CarbonylContact C-O 3.53Å; R148-F151 WeakPolarHBondContact CA-O 3.41Å; R148-F151 CarbonylContact O-C 3.58Å; R148-P152 WeakPolarHBondContact O-CA 3.14Å; R148-P152 VanDerWaalsContact O-N 3.14Å
149L95.3Very high95.9Very high117 Ų11744.8 Ų44.861%0.61323%0.231SC*.Hα-helixtrans-68.8-41.7172.9-72.4172.8000111.1S145 R146 P152S145-L149 WeakPolarHBondContact O-CG 3.33Å; S145-L149 PolarHBondContact O-N 2.69Å; R146-L149 PolarHBondContact O-N 3.09Å; L149-P152 WeakPolarHBondContact O-CG 3.36Å
150R94.3Very high95.8Very high79 Ų7947.1 Ų47.130%0.29825%0.25SC..Hα-helixtrans-67.6-41.8176.6-176.1177.7-179.6149.23.9112.7R146 E309 E313R146-R150 PolarHBondContact O-N 3.44Å; R150-E309 WeakPolarHBondContact CD-OE1 3.36Å; R150-E313 IonicContact CZ-OE1 2.94Å; R150-E313 IonicContact NH1-OE1 2.76Å; R150-E313 PolarHBondContact NH1-OE1 2.99Å; R150-E313 IonicContact NH2-OE1 3.09Å; R150-E313 PolarHBondContact NH2-OE1 2.97Å
151F96.2Very high95.8Very high12 Ų1249.4 Ų49.45%0.05327%0.274CS..  trans-122.795.1174.8-47.6-69000107.5R141 A147 R148 H156 L157 A160 L162 I312R141-F151 VanDerWaalsContact CZ-C 3.47Å; R141-F151 PolarHBondContact NE-O 3.37Å; R141-F151 VanDerWaalsContact NE-O 3.12Å; R141-F151 PolarHBondContact NH1-O 3.21Å; R141-F151 VanDerWaalsContact NH2-CB 3.32Å; R141-F151 PolarHBondContact NH2-O 3.38Å; A147-F151 PolarHBondContact O-N 2.85Å; R148-F151 CarbonylContact C-O 3.53Å; R148-F151 WeakPolarHBondContact CA-O 3.41Å; R148-F151 CarbonylContact O-C 3.58Å; F151-H156 HydrophobicContact CB-CB 4.38Å; F151-H156 HydrophobicContact CD1-CB 4.33Å; F151-L157 HydrophobicContact CB-CD2 3.97Å; F151-L157 HydrophobicContact CD1-CD2 4.02Å; F151-L157 HydrophobicContact CD2-CD2 4.19Å; F151-L157 HydrophobicContact CG-CD2 3.8Å; F151-A160 HydrophobicContact CD1-CB 4.41Å; F151-A160 HydrophobicContact CE1-CB 3.69Å; F151-L162 HydrophobicContact CE1-CD1 4.31Å; F151-L162 HydrophobicContact CZ-CD1 4.05Å; F151-I312 HydrophobicContact CE2-CD1 4.19Å; F151-I312 HydrophobicContact CE2-CG2 4.39Å
152P96Very high95.8Very high64 Ų6447.9 Ų47.942%0.41627%0.268SS..  trans-82.6-34.7177.8-2134.9000115R141 R148 L149R141-P152 VanDerWaalsContact CZ-C 3.47Å; R141-P152 PolarHBondContact NH1-O 3.17Å; R148-P152 WeakPolarHBondContact O-CA 3.14Å; R148-P152 VanDerWaalsContact O-N 3.14Å; L149-P152 WeakPolarHBondContact O-CG 3.36Å
153T95.6Very high96Very high59 Ų5946.9 Ų46.936%0.36226%0.259SS..SBendtrans-130.2156.2176.176.30000111.9R141 E155 H156R141-T153 VanDerWaalsContact NH2-CA 3.31Å; R141-T153 PolarHBondContact NH2-O 3.2Å; T153-E155 WeakPolarHBondContact CB-OE2 3.47Å; T153-E155 PolarHBondContact O-N 3.35Å; T153-E155 VanDerWaalsContact O-N 3.13Å; T153-E155 PolarHBondContact OG1-OE2 3.33Å; T153-H156 PolarHBondContact N-ND1 3.44Å; T153-H156 WeakPolarHBondContact O-CA 3.4Å; T153-H156 VanDerWaalsContact O-CB 3.24Å; T153-H156 WeakPolarHBondContact O-CB 3.27Å; T153-H156 PolarHBondContact O-N 3.4Å; T153-H156 PolarHBondContact OG1-ND1 3.37Å
154E94.9Very high96.1Very high53 Ų5349 Ų4925%0.24827%0.273CS..Hα-helixtrans-58.7-27.8-176.9-61.2161.8163.100112.3H156 L157 V158 L168 Y171 R172E154-H156 PolarHBondContact O-N 3.46Å; E154-L157 WeakPolarHBondContact O-CA 3.44Å; E154-L157 VanDerWaalsContact O-CB 3.25Å; E154-L157 WeakPolarHBondContact O-CB 3.3Å; E154-L157 PolarHBondContact O-N 3.08Å; E154-V158 PolarHBondContact O-N 3.17Å; E154-L168 HydrophobicContact CB-CD1 3.5Å; E154-L168 VanDerWaalsContact CB-CD1 3.5Å; E154-L168 HydrophobicContact CG-CD1 4.38Å; E154-Y171 VanDerWaalsContact OE1-CE1 3.29Å; E154-Y171 WeakPolarHBondContact OE1-CE1 3.3Å; E154-R172 IonicContact OE2-CZ 3.29Å; E154-R172 IonicContact OE2-NE 2.99Å; E154-R172 PolarHBondContact OE2-NE 3.14Å; E154-R172 IonicContact OE2-NH2 3.25Å; E154-R172 PolarHBondContact OE2-NH2 3.45Å
155E97.1Very high96.2Very high80 Ų8053.7 Ų53.737%0.37429%0.294SS..Hα-helixtrans-57.4-31170.5-63.681-17700112.3T153 L157 V158 S159 L168 R172T153-E155 WeakPolarHBondContact CB-OE2 3.47Å; T153-E155 PolarHBondContact O-N 3.35Å; T153-E155 VanDerWaalsContact O-N 3.13Å; T153-E155 PolarHBondContact OG1-OE2 3.33Å; E155-L157 VanDerWaalsContact C-N 3.28Å; E155-L157 PolarHBondContact O-N 3.2Å; E155-V158 WeakPolarHBondContact O-CB 3.39Å; E155-V158 PolarHBondContact O-N 3.35Å; E155-V158 VanDerWaalsContact O-N 3.16Å; E155-S159 PolarHBondContact O-N 3.35Å; E155-L168 HydrophobicContact CG-CD2 4.36Å; E155-R172 IonicContact OE1-CZ 2.67Å; E155-R172 IonicContact OE1-NH1 3.58Å; E155-R172 PolarHBondContact OE1-NH1 3.01Å; E155-R172 IonicContact OE1-NH2 3.88Å; E155-R172 PolarHBondContact OE1-NH2 2.78Å; E155-R172 IonicContact OE2-NH2 3.68Å; E155-R172 PolarHBondContact OE2-NH2 2.73Å
156H97.8Very high96.3Very high76 Ų7659.3 Ų59.335%0.35232%0.317SS..Hα-helixtrans-67.2-31.2174.8-68.374.8000111.6F151 T153 E154 V158 S159 A160F151-H156 HydrophobicContact CB-CB 4.38Å; F151-H156 HydrophobicContact CD1-CB 4.33Å; T153-H156 PolarHBondContact N-ND1 3.44Å; T153-H156 WeakPolarHBondContact O-CA 3.4Å; T153-H156 VanDerWaalsContact O-CB 3.24Å; T153-H156 WeakPolarHBondContact O-CB 3.27Å; T153-H156 PolarHBondContact O-N 3.4Å; T153-H156 PolarHBondContact OG1-ND1 3.37Å; E154-H156 PolarHBondContact O-N 3.46Å; H156-V158 VanDerWaalsContact C-N 3.3Å; H156-S159 VanDerWaalsContact CA-OG 3.31Å; H156-S159 WeakPolarHBondContact CA-OG 3.45Å; H156-S159 PolarHBondContact O-N 3.47Å; H156-S159 PolarHBondContact O-OG 3.25Å; H156-A160 VanDerWaalsContact O-CB 3.23Å; H156-A160 WeakPolarHBondContact O-CB 3.41Å; H156-A160 PolarHBondContact O-N 3.42Å
157L97.4Very high96.5Very high1 Ų158 Ų581%0.00531%0.313CS..Hα-helixtrans-67.6-34.8172.8-58.2172.7000111.1L134 C137 I138 F151 E154 E155 G161 L162 M163L134-L157 HydrophobicContact CD1-CB 4.42Å; L134-L157 HydrophobicContact CD1-CD1 4.19Å; C137-L157 HydrophobicContact CB-CD2 4.06Å; I138-L157 HydrophobicContact CG1-CD1 3.7Å; F151-L157 HydrophobicContact CB-CD2 3.97Å; F151-L157 HydrophobicContact CD1-CD2 4.02Å; F151-L157 HydrophobicContact CD2-CD2 4.19Å; F151-L157 HydrophobicContact CG-CD2 3.8Å; E154-L157 WeakPolarHBondContact O-CA 3.44Å; E154-L157 VanDerWaalsContact O-CB 3.25Å; E154-L157 WeakPolarHBondContact O-CB 3.3Å; E154-L157 PolarHBondContact O-N 3.08Å; E155-L157 VanDerWaalsContact C-N 3.28Å; E155-L157 PolarHBondContact O-N 3.2Å; L157-G161 PolarHBondContact O-N 3.03Å; L157-L162 HydrophobicContact CD2-CD1 3.95Å; L157-L162 PolarHBondContact O-N 3.26Å; L157-M163 HydrophobicContact CB-CB 4.34Å; L157-M163 PolarHBondContact O-N 3.14Å
158V97.9Very high96.6Very high34 Ų3458 Ų5821%0.20631%0.313CS..Hα-helixtrans-67.5-48.9172.8179.40000110.9E154 E155 H156 A160 G161 M163 L168E154-V158 PolarHBondContact O-N 3.17Å; E155-V158 WeakPolarHBondContact O-CB 3.39Å; E155-V158 PolarHBondContact O-N 3.35Å; E155-V158 VanDerWaalsContact O-N 3.16Å; H156-V158 VanDerWaalsContact C-N 3.3Å; V158-A160 PolarHBondContact O-N 3.13Å; V158-G161 PolarHBondContact O-N 2.85Å; V158-M163 VanDerWaalsContact CA-O 3.3Å; V158-M163 WeakPolarHBondContact CA-O 3.5Å; V158-M163 HydrophobicContact CG2-CB 4.07Å; V158-M163 HydrophobicContact CG2-CG 4.32Å; V158-M163 HydrophobicContact CG2-SD 4.45Å; V158-L168 HydrophobicContact CG2-CB 3.89Å; V158-L168 HydrophobicContact CG2-CD2 3.68Å; V158-L168 HydrophobicContact CG2-CG 4.33Å
159S96.8Very high96.7Very high97 Ų9756.2 Ų56.268%0.67831%0.313SS*.Hα-helixtrans-60.7-30.5178.275.50000112.9E155 H156 G161E155-S159 PolarHBondContact O-N 3.35Å; H156-S159 VanDerWaalsContact CA-OG 3.31Å; H156-S159 WeakPolarHBondContact CA-OG 3.45Å; H156-S159 PolarHBondContact O-N 3.47Å; H156-S159 PolarHBondContact O-OG 3.25Å; S159-G161 VanDerWaalsContact C-N 3.26Å; S159-G161 PolarHBondContact O-N 3.01Å
160A95.7Very high96.8Very high49 Ų4955 Ų5541%0.40531%0.306SS..THydrogen-bonded Turntrans-80.3-3176.100000113.7F151 H156 V158 L162F151-A160 HydrophobicContact CD1-CB 4.41Å; F151-A160 HydrophobicContact CE1-CB 3.69Å; H156-A160 VanDerWaalsContact O-CB 3.23Å; H156-A160 WeakPolarHBondContact O-CB 3.41Å; H156-A160 PolarHBondContact O-N 3.42Å; V158-A160 PolarHBondContact O-N 3.13Å; A160-L162 VanDerWaalsContact C-N 3.27Å; A160-L162 HydrophobicContact CB-CD1 4.35Å; A160-L162 HydrophobicContact CB-CG 4.33Å; A160-L162 PolarHBondContact O-N 3.28Å
161G95.5Very high96.9Very high49 Ų4951.9 Ų51.951%0.50529%0.294SS..THydrogen-bonded Turntrans72.615.6-178.800000114.6L157 V158 S159L157-G161 PolarHBondContact O-N 3.03Å; V158-G161 PolarHBondContact O-N 2.85Å; S159-G161 VanDerWaalsContact C-N 3.26Å; S159-G161 PolarHBondContact O-N 3.01Å
162L96.6Very high96.8Very high4 Ų456.3 Ų56.32%0.02131%0.311CS..SBendtrans-81.3-31.1175.9-65.4171.4000111.7R130 L134 C137 F151 L157 A160 L316R130-L162 WeakPolarHBondContact CG-O 3.41Å; R130-L162 PolarHBondContact NH1-O 2.98Å; R130-L162 VanDerWaalsContact NH1-O 3.09Å; L134-L162 HydrophobicContact CD1-CB 4.09Å; C137-L162 HydrophobicContact CB-CD1 4.09Å; F151-L162 HydrophobicContact CE1-CD1 4.31Å; F151-L162 HydrophobicContact CZ-CD1 4.05Å; L157-L162 HydrophobicContact CD2-CD1 3.95Å; L157-L162 PolarHBondContact O-N 3.26Å; A160-L162 VanDerWaalsContact C-N 3.27Å; A160-L162 HydrophobicContact CB-CD1 4.35Å; A160-L162 HydrophobicContact CB-CG 4.33Å; A160-L162 PolarHBondContact O-N 3.28Å; L162-L316 HydrophobicContact CD2-CD1 3.59Å; L162-L316 HydrophobicContact CD2-CD2 4.05Å; L162-L316 HydrophobicContact CD2-CG 4.47Å
163M97.3Very high96.8Very high5 Ų557.2 Ų57.23%0.02532%0.319CS..SBendtrans-130.5145.2-178.3-167.8-179.9-106.500109.3L134 I138 L157 V158 E167 L168 Y171L134-M163 HydrophobicContact CD1-CB 3.87Å; L134-M163 HydrophobicContact CD1-CE 4.08Å; L134-M163 HydrophobicContact CD1-CG 4.43Å; L134-M163 HydrophobicContact CD2-CB 4.02Å; L134-M163 HydrophobicContact CD2-CE 3.75Å; L134-M163 HydrophobicContact CD2-CG 3.97Å; L134-M163 HydrophobicContact CG-CE 4.23Å; I138-M163 HydrophobicContact CD1-CE 4.07Å; L157-M163 HydrophobicContact CB-CB 4.34Å; L157-M163 PolarHBondContact O-N 3.14Å; V158-M163 VanDerWaalsContact CA-O 3.3Å; V158-M163 WeakPolarHBondContact CA-O 3.5Å; V158-M163 HydrophobicContact CG2-CB 4.07Å; V158-M163 HydrophobicContact CG2-CG 4.32Å; V158-M163 HydrophobicContact CG2-SD 4.45Å; M163-E167 WeakPolarHBondContact CA-OE2 3.45Å; M163-E167 HydrophobicContact CG-CB 3.73Å; M163-L168 HydrophobicContact CG-CB 4.38Å; M163-L168 VanDerWaalsContact SD-CA 3.59Å; M163-L168 HydrophobicContact SD-CB 3.72Å; M163-L168 HydrophobicContact SD-CD1 3.77Å; M163-L168 HydrophobicContact SD-CG 4.35Å; M163-Y171 HydrophobicContact CE-CD1 4.45Å; M163-Y171 HydrophobicContact CE-CD2 4.13Å; M163-Y171 HydrophobicContact CE-CG 3.92Å
164T97.7Very high96.8Very high53 Ų5356.4 Ų56.433%0.32531%0.314SS..  trans-85.6164.4169.371.10000110.5E166 E167 L168T164-E166 VanDerWaalsContact C-N 3.31Å; T164-E166 PolarHBondContact O-N 2.91Å; T164-E167 PolarHBondContact N-OE2 3.4Å; T164-E167 PolarHBondContact O-N 2.87Å; T164-E167 WeakPolarHBondContact OG1-CB 3.36Å; T164-E167 WeakPolarHBondContact OG1-CG 3.37Å; T164-E167 PolarHBondContact OG1-N 2.96Å; T164-E167 VanDerWaalsContact OG1-N 3.14Å; T164-L168 PolarHBondContact O-N 2.84Å
165Q97.8Very high96.8Very high97 Ų9760.3 Ų60.345%0.45333%0.332SS..Hα-helixtrans-62.2-41.2175.5-173.95847.200111.6E167 L168 D169Q165-E167 VanDerWaalsContact C-N 3.33Å; Q165-E167 PolarHBondContact O-N 2.84Å; Q165-L168 WeakPolarHBondContact O-CB 3.44Å; Q165-L168 PolarHBondContact O-N 3.37Å; Q165-L168 VanDerWaalsContact O-N 3.16Å; Q165-D169 PolarHBondContact NE2-OD1 3.12Å; Q165-D169 VanDerWaalsContact O-CG 3.22Å; Q165-D169 PolarHBondContact O-N 3.19Å
166E97.7Very high96.7Very high148 Ų14859.3 Ų59.369%0.69233%0.332SS*.Hα-helixtrans-61.6-41.9177.7-63.9166.4-179.900111.7T164 L168 D169 I170T164-E166 VanDerWaalsContact C-N 3.31Å; T164-E166 PolarHBondContact O-N 2.91Å; E166-L168 VanDerWaalsContact C-N 3.33Å; E166-D169 PolarHBondContact O-N 2.66Å; E166-I170 WeakPolarHBondContact O-CG1 3.3Å; E166-I170 PolarHBondContact O-N 3.37Å
167E98.2Very high96.2Very high18 Ų1859.7 Ų59.78%0.08434%0.344CS..Hα-helixtrans-65.6-36.8175.6-73.3160.5-171.800112.1R130 Y131 M163 T164 Q165 I170 Y171 W188R130-E167 IonicContact CZ-OE1 2.99Å; R130-E167 IonicContact CZ-OE2 3.64Å; R130-E167 VanDerWaalsContact NH1-CD 3.33Å; R130-E167 IonicContact NH1-OE1 2.71Å; R130-E167 PolarHBondContact NH1-OE1 3.02Å; R130-E167 IonicContact NH1-OE2 2.71Å; R130-E167 PolarHBondContact NH1-OE2 3.21Å; R130-E167 IonicContact NH2-OE1 2.79Å; R130-E167 PolarHBondContact NH2-OE1 3.45Å; R130-E167 IonicContact NH2-OE2 3.55Å; Y131-E167 WeakPolarHBondContact CE1-OE1 3.35Å; Y131-E167 PolarHBondContact OH-OE1 2.88Å; M163-E167 WeakPolarHBondContact CA-OE2 3.45Å; M163-E167 HydrophobicContact CG-CB 3.73Å; T164-E167 PolarHBondContact N-OE2 3.4Å; T164-E167 PolarHBondContact O-N 2.87Å; T164-E167 WeakPolarHBondContact OG1-CB 3.36Å; T164-E167 WeakPolarHBondContact OG1-CG 3.37Å; T164-E167 PolarHBondContact OG1-N 2.96Å; T164-E167 VanDerWaalsContact OG1-N 3.14Å; Q165-E167 VanDerWaalsContact C-N 3.33Å; Q165-E167 PolarHBondContact O-N 2.84Å; E167-I170 PolarHBondContact O-N 3.26Å; E167-Y171 WeakPolarHBondContact O-CB 3.4Å; E167-Y171 PolarHBondContact O-N 3.27Å; E167-W188 HydrophobicContact CB-CH2 3.98Å; E167-W188 HydrophobicContact CB-CZ3 3.9Å; E167-W188 HydrophobicContact CG-CH2 4.38Å; E167-W188 HydrophobicContact CG-CZ3 3.99Å; E167-W188 WeakPolarHBondContact O-CH2 3.42Å
168L97.4Very high95.8Very high0 Ų066.7 Ų66.70%038%0.376CS..Hα-helixtrans-63.2-43.7174.6178.759.3000111.1E154 E155 V158 M163 T164 Q165 E166 I170 Y171 R172E154-L168 HydrophobicContact CB-CD1 3.5Å; E154-L168 VanDerWaalsContact CB-CD1 3.5Å; E154-L168 HydrophobicContact CG-CD1 4.38Å; E155-L168 HydrophobicContact CG-CD2 4.36Å; V158-L168 HydrophobicContact CG2-CB 3.89Å; V158-L168 HydrophobicContact CG2-CD2 3.68Å; V158-L168 HydrophobicContact CG2-CG 4.33Å; M163-L168 HydrophobicContact CG-CB 4.38Å; M163-L168 VanDerWaalsContact SD-CA 3.59Å; M163-L168 HydrophobicContact SD-CB 3.72Å; M163-L168 HydrophobicContact SD-CD1 3.77Å; M163-L168 HydrophobicContact SD-CG 4.35Å; T164-L168 PolarHBondContact O-N 2.84Å; Q165-L168 WeakPolarHBondContact O-CB 3.44Å; Q165-L168 PolarHBondContact O-N 3.37Å; Q165-L168 VanDerWaalsContact O-N 3.16Å; E166-L168 VanDerWaalsContact C-N 3.33Å; L168-I170 PolarHBondContact O-N 3.4Å; L168-Y171 PolarHBondContact O-N 3.34Å; L168-R172 HydrophobicContact CD1-CG 4.08Å; L168-R172 WeakPolarHBondContact O-CB 3.18Å; L168-R172 WeakPolarHBondContact O-CG 3.46Å; L168-R172 PolarHBondContact O-N 2.83Å
169D97.5Very high95.4Very high86 Ų8671.9 Ų71.946%0.4639%0.393SS..Hα-helixtrans-63-43.7178.9-61.6-23.2000110.9Q165 E166 S173Q165-D169 PolarHBondContact NE2-OD1 3.12Å; Q165-D169 VanDerWaalsContact O-CG 3.22Å; Q165-D169 PolarHBondContact O-N 3.19Å; E166-D169 PolarHBondContact O-N 2.66Å; D169-S173 WeakPolarHBondContact O-CB 3.23Å; D169-S173 PolarHBondContact O-N 3.26Å; D169-S173 PolarHBondContact O-OG 3.18Å
170I97.2Very high95.2Very high90 Ų9070.4 Ų70.446%0.46238%0.38SS..Hα-helixtrans-62.7-48.1174.2-64.5167.4000110.4E166 E167 L168 R172 S173 T174 W188E166-I170 WeakPolarHBondContact O-CG1 3.3Å; E166-I170 PolarHBondContact O-N 3.37Å; E167-I170 PolarHBondContact O-N 3.26Å; L168-I170 PolarHBondContact O-N 3.4Å; I170-R172 VanDerWaalsContact C-N 3.33Å; I170-R172 PolarHBondContact O-N 3.37Å; I170-S173 WeakPolarHBondContact CA-OG 3.36Å; I170-S173 PolarHBondContact O-N 3.06Å; I170-S173 PolarHBondContact O-OG 3.46Å; I170-T174 PolarHBondContact O-N 3.45Å; I170-T174 PolarHBondContact O-OG1 3.15Å; I170-W188 HydrophobicContact CB-CZ2 4.35Å; I170-W188 HydrophobicContact CG2-CZ2 3.88Å
171Y96.7Very high95.1Very high15 Ų1568.5 Ų68.56%0.05936%0.363CS..Hα-helixtrans-57.1-45.9-179.6-177.8-93000111.4I138 E154 M163 E167 L168 T174 L181 V184I138-Y171 HydrophobicContact CD1-CD2 4.5Å; I138-Y171 HydrophobicContact CD1-CE2 3.93Å; E154-Y171 VanDerWaalsContact OE1-CE1 3.29Å; E154-Y171 WeakPolarHBondContact OE1-CE1 3.3Å; M163-Y171 HydrophobicContact CE-CD1 4.45Å; M163-Y171 HydrophobicContact CE-CD2 4.13Å; M163-Y171 HydrophobicContact CE-CG 3.92Å; E167-Y171 WeakPolarHBondContact O-CB 3.4Å; E167-Y171 PolarHBondContact O-N 3.27Å; L168-Y171 PolarHBondContact O-N 3.34Å; Y171-T174 WeakPolarHBondContact O-CB 3.37Å; Y171-T174 PolarHBondContact O-N 2.88Å; Y171-L181 HydrophobicContact CE2-CB 4.07Å; Y171-L181 WeakPolarHBondContact CE2-O 3.29Å; Y171-L181 PolarHBondContact OH-N 3.17Å; Y171-V184 HydrophobicContact CD2-CB 3.98Å; Y171-V184 HydrophobicContact CD2-CG1 3.89Å; Y171-V184 HydrophobicContact CE2-CB 4.07Å; Y171-V184 HydrophobicContact CE2-CG1 4.49Å
172R94.7Very high95.2Very high105 Ų10566.9 Ų66.940%0.39634%0.342SS..Hα-helixtrans-67.6-35178.1-74.5177.4169.3-178.1-5.3113.8E154 E155 L168 I170 T174E154-R172 IonicContact OE2-CZ 3.29Å; E154-R172 IonicContact OE2-NE 2.99Å; E154-R172 PolarHBondContact OE2-NE 3.14Å; E154-R172 IonicContact OE2-NH2 3.25Å; E154-R172 PolarHBondContact OE2-NH2 3.45Å; E155-R172 IonicContact OE1-CZ 2.67Å; E155-R172 IonicContact OE1-NH1 3.58Å; E155-R172 PolarHBondContact OE1-NH1 3.01Å; E155-R172 IonicContact OE1-NH2 3.88Å; E155-R172 PolarHBondContact OE1-NH2 2.78Å; E155-R172 IonicContact OE2-NH2 3.68Å; E155-R172 PolarHBondContact OE2-NH2 2.73Å; L168-R172 HydrophobicContact CD1-CG 4.08Å; L168-R172 WeakPolarHBondContact O-CB 3.18Å; L168-R172 WeakPolarHBondContact O-CG 3.46Å; L168-R172 PolarHBondContact O-N 2.83Å; I170-R172 VanDerWaalsContact C-N 3.33Å; I170-R172 PolarHBondContact O-N 3.37Å; R172-T174 PolarHBondContact O-N 3.26Å
173S95.5Very high95.1Very high83 Ų8370.4 Ų70.458%0.5836%0.357SS*.Hα-helixtrans-74.4-15.6176.672.90000113.1D169 I170 Q175D169-S173 WeakPolarHBondContact O-CB 3.23Å; D169-S173 PolarHBondContact O-N 3.26Å; D169-S173 PolarHBondContact O-OG 3.18Å; I170-S173 WeakPolarHBondContact CA-OG 3.36Å; I170-S173 PolarHBondContact O-N 3.06Å; I170-S173 PolarHBondContact O-OG 3.46Å; S173-Q175 PolarHBondContact O-N 3.4Å
174T96.2Very high95.1Very high42 Ų4270.6 Ų70.626%0.25836%0.358SS..SBendtrans-73.2121-177.8-58.10000110.4I170 Y171 R172 L181 V184I170-T174 PolarHBondContact O-N 3.45Å; I170-T174 PolarHBondContact O-OG1 3.15Å; Y171-T174 WeakPolarHBondContact O-CB 3.37Å; Y171-T174 PolarHBondContact O-N 2.88Å; R172-T174 PolarHBondContact O-N 3.26Å; T174-L181 HydrophobicContact CG2-CD1 3.86Å; T174-L181 WeakPolarHBondContact O-CD1 3.42Å; T174-V184 HydrophobicContact CG2-CG2 4.1Å
175Q94.9Very high95.2Very high135 Ų13568 Ų6863%0.63134%0.343SS*.SBendtrans-93.3150.7174.5-64.8-64.3-17.100110.8S173 S177S173-Q175 PolarHBondContact O-N 3.4Å; Q175-S177 PolarHBondContact OE1-OG 3.06Å; Q175-S177 VanDerWaalsContact OE1-OG 3.11Å
176P94.3Very high95.2Very high59 Ų5963.7 Ų63.738%0.38332%0.323SS..PPolyproline II helixcis-80.1126.1-0.928.9-34.6000114.2E178 Y179P176-E178 VanDerWaalsContact C-N 3.25Å; P176-E178 HydrophobicContact CB-CG 4.27Å; P176-E178 PolarHBondContact O-N 3.19Å; P176-Y179 HydrophobicContact CB-CD2 3.71Å; P176-Y179 HydrophobicContact CB-CE2 3.81Å; P176-Y179 HydrophobicContact CG-CD2 3.37Å; P176-Y179 HydrophobicContact CG-CE2 3.63Å
177S86.7Confident95.2Very high84 Ų8460.5 Ų60.559%0.58731%0.313SS*.THydrogen-bonded Turntrans-72.7-10.5-178.352.80000115.1Q175 Y179Q175-S177 PolarHBondContact OE1-OG 3.06Å; Q175-S177 VanDerWaalsContact OE1-OG 3.11Å; S177-Y179 VanDerWaalsContact C-N 3.33Å
178E88.7Confident95.2Very high148 Ų14861.8 Ų61.869%0.69232%0.317SS*.THydrogen-bonded Turntrans-76.5-17.817968-162.9-170.400113.8P176P176-E178 VanDerWaalsContact C-N 3.25Å; P176-E178 HydrophobicContact CB-CG 4.27Å; P176-E178 PolarHBondContact O-N 3.19Å
179Y90.9Very high95.3Very high143 Ų14361.8 Ų61.856%0.56132%0.317SS*.SBendtrans-101.9154179.2-55-82.3000111.5P176 S177 L181P176-Y179 HydrophobicContact CB-CD2 3.71Å; P176-Y179 HydrophobicContact CB-CE2 3.81Å; P176-Y179 HydrophobicContact CG-CD2 3.37Å; P176-Y179 HydrophobicContact CG-CE2 3.63Å; S177-Y179 VanDerWaalsContact C-N 3.33Å; Y179-L181 PolarHBondContact O-N 3.34Å
180T91.2Very high95.3Very high66 Ų6660 Ų6041%0.40531%0.307SS..  trans-73101.1167.7-57.50000109.3I138 A142 Y182 F226I138-T180 HydrophobicContact CG2-CG2 4.07Å; A142-T180 HydrophobicContact CB-CG2 4.11Å; T180-Y182 HydrophobicContact CG2-CD1 4.24Å; T180-Y182 WeakPolarHBondContact O-CD1 3.32Å; T180-Y182 PolarHBondContact O-N 3.45Å; T180-F226 HydrophobicContact CG2-CE1 4.41Å; T180-F226 HydrophobicContact CG2-CZ 3.94Å
181L95Very high95.4Very high8 Ų859.1 Ų59.14%0.04230%0.303CS..  trans-82.343.9-176.1-60.2-177000113.3Y171 T174 Y179 F183 V184Y171-L181 HydrophobicContact CE2-CB 4.07Å; Y171-L181 WeakPolarHBondContact CE2-O 3.29Å; Y171-L181 PolarHBondContact OH-N 3.17Å; T174-L181 HydrophobicContact CG2-CD1 3.86Å; T174-L181 WeakPolarHBondContact O-CD1 3.42Å; Y179-L181 PolarHBondContact O-N 3.34Å; L181-F183 HydrophobicContact CB-CE1 4.48Å; L181-F183 HydrophobicContact CD2-CE1 3.67Å; L181-F183 HydrophobicContact CD2-CZ 3.69Å; L181-F183 PolarHBondContact O-N 3.04Å; L181-V184 HydrophobicContact CB-CG2 3.75Å; L181-V184 HydrophobicContact CD1-CG2 4.32Å; L181-V184 WeakPolarHBondContact O-CB 3.16Å; L181-V184 PolarHBondContact O-N 2.95Å
182Y96Very high95.4Very high15 Ų1559.4 Ų59.46%0.05931%0.306CS..THydrogen-bonded Turntrans-55.9-17.4-178.264.4-91000114.3S135 A139 T180 R219 L222 G223 F226S135-Y182 WeakPolarHBondContact CA-O 3.45Å; S135-Y182 VanDerWaalsContact CB-O 3.23Å; S135-Y182 WeakPolarHBondContact CB-O 3.44Å; S135-Y182 PolarHBondContact OG-O 3Å; A139-Y182 HydrophobicContact CB-CD2 4.22Å; A139-Y182 HydrophobicContact CB-CG 4.14Å; T180-Y182 HydrophobicContact CG2-CD1 4.24Å; T180-Y182 WeakPolarHBondContact O-CD1 3.32Å; T180-Y182 PolarHBondContact O-N 3.45Å; Y182-R219 PolarHBondContact OH-NH1 3.15Å; Y182-R219 PolarHBondContact OH-NH2 3.16Å; Y182-L222 HydrophobicContact CD2-CB 4.22Å; Y182-L222 HydrophobicContact CD2-CD1 4.02Å; Y182-L222 HydrophobicContact CE2-CB 3.78Å; Y182-L222 HydrophobicContact CE2-CD1 4.37Å; Y182-G223 WeakPolarHBondContact OH-CA 3.5Å; Y182-F226 AromaticContact CD1-CD2 3.89Å; Y182-F226 HydrophobicContact CD1-CD2 3.89Å; Y182-F226 HydrophobicContact CD1-CE1 4.27Å; Y182-F226 AromaticContact CD1-CE2 3.21Å; Y182-F226 HydrophobicContact CD1-CE2 3.21Å; Y182-F226 AromaticContact CD1-CZ 3.45Å; Y182-F226 HydrophobicContact CD1-CZ 3.45Å; Y182-F226 VanDerWaalsContact CD1-CZ 3.45Å; Y182-F226 HydrophobicContact CD2-CE2 4.17Å; Y182-F226 HydrophobicContact CE1-CD1 4.26Å; Y182-F226 AromaticContact CE1-CD2 3.37Å; Y182-F226 HydrophobicContact CE1-CD2 3.37Å; Y182-F226 HydrophobicContact CE1-CE1 4.16Å; Y182-F226 AromaticContact CE1-CE2 3.22Å; Y182-F226 HydrophobicContact CE1-CE2 3.22Å; Y182-F226 AromaticContact CE1-CG 3.89Å; Y182-F226 HydrophobicContact CE1-CG 3.89Å; Y182-F226 AromaticContact CE1-CZ 3.66Å; Y182-F226 HydrophobicContact CE1-CZ 3.66Å; Y182-F226 HydrophobicContact CE2-CD2 4.16Å; Y182-F226 HydrophobicContact CE2-CE2 4.17Å; Y182-F226 HydrophobicContact CG-CD2 4.47Å; Y182-F226 AromaticContact CG-CE2 3.7Å; Y182-F226 HydrophobicContact CG-CE2 3.7Å; Y182-F226 HydrophobicContact CG-CZ 4.21Å; Y182-F226 AromaticContact CZ-CD2 3.49Å; Y182-F226 VanDerWaalsContact CZ-CD2 3.49Å; Y182-F226 AromaticContact CZ-CE2 3.7Å
183F96.2Very high95.6Very high79 Ų7954.4 Ų54.435%0.34629%0.287SS..THydrogen-bonded Turntrans-82.8-14178.964.7-96.1000114.1L181 L186 V187L181-F183 HydrophobicContact CB-CE1 4.48Å; L181-F183 HydrophobicContact CD2-CE1 3.67Å; L181-F183 HydrophobicContact CD2-CZ 3.69Å; L181-F183 PolarHBondContact O-N 3.04Å; F183-L186 WeakPolarHBondContact O-CA 3.25Å; F183-L186 WeakPolarHBondContact O-CB 3.38Å; F183-L186 PolarHBondContact O-N 3.3Å; F183-V187 HydrophobicContact CD2-CG2 4.28Å; F183-V187 PolarHBondContact O-N 3.12Å; F183-V187 VanDerWaalsContact O-N 3.16Å
184V97.6Very high95.7Very high8 Ų853.4 Ų53.45%0.04828%0.277CS..Hα-helixtrans-56.2-47.2-178.1163.70000112.1Y171 T174 L181 L186 V187 W188Y171-V184 HydrophobicContact CD2-CB 3.98Å; Y171-V184 HydrophobicContact CD2-CG1 3.89Å; Y171-V184 HydrophobicContact CE2-CB 4.07Å; Y171-V184 HydrophobicContact CE2-CG1 4.49Å; T174-V184 HydrophobicContact CG2-CG2 4.1Å; L181-V184 HydrophobicContact CB-CG2 3.75Å; L181-V184 HydrophobicContact CD1-CG2 4.32Å; L181-V184 WeakPolarHBondContact O-CB 3.16Å; L181-V184 PolarHBondContact O-N 2.95Å; V184-L186 PolarHBondContact O-N 3.28Å; V184-V187 WeakPolarHBondContact O-CB 3.44Å; V184-V187 PolarHBondContact O-N 3.41Å; V184-W188 HydrophobicContact CG1-CD2 4.24Å; V184-W188 VanDerWaalsContact CG1-CE2 3.44Å; V184-W188 HydrophobicContact CG1-CH2 3.94Å; V184-W188 HydrophobicContact CG1-CZ2 3.28Å; V184-W188 PolarHBondContact O-N 3.22Å
185P98.3Very high95.8Very high0 Ų055 Ų550%028%0.281CS..Hα-helixtrans-58.9-30.9173.5-25.834.8000113.8Y131 L134 I138 V187 W188 A189Y131-P185 WeakPolarHBondContact CB-O 3.12Å; Y131-P185 VanDerWaalsContact O-CB 3.23Å; Y131-P185 WeakPolarHBondContact O-CB 3.38Å; L134-P185 HydrophobicContact CB-CB 4.33Å; L134-P185 HydrophobicContact CB-CG 4.36Å; L134-P185 HydrophobicContact CD2-CB 4.18Å; L134-P185 HydrophobicContact CD2-CG 3.85Å; L134-P185 HydrophobicContact CG-CB 4.29Å; L134-P185 HydrophobicContact CG-CG 3.83Å; I138-P185 HydrophobicContact CD1-CG 3.95Å; P185-V187 VanDerWaalsContact C-N 3.33Å; P185-W188 HydrophobicContact CB-CE3 4.21Å; P185-W188 HydrophobicContact CG-CE3 4.46Å; P185-W188 HydrophobicContact CG-CZ3 4.36Å; P185-W188 WeakPolarHBondContact O-CB 3.08Å; P185-W188 PolarHBondContact O-N 2.89Å; P185-A189 PolarHBondContact O-N 3.12Å
186L98.5Very high95.9Very high6 Ų648.6 Ų48.63%0.03125%0.251CS..Hα-helixtrans-70.7-32177.6-55.4-179000111.8I132 S135 F183 V184 W188 A189 L190 I215 R219I132-L186 HydrophobicContact CG1-CD2 4.27Å; S135-L186 WeakPolarHBondContact OG-CD1 3.2Å; S135-L186 WeakPolarHBondContact OG-CG 3.49Å; F183-L186 WeakPolarHBondContact O-CA 3.25Å; F183-L186 WeakPolarHBondContact O-CB 3.38Å; F183-L186 PolarHBondContact O-N 3.3Å; V184-L186 PolarHBondContact O-N 3.28Å; L186-W188 VanDerWaalsContact C-N 3.34Å; L186-A189 PolarHBondContact O-N 3.26Å; L186-L190 WeakPolarHBondContact O-CG 3.37Å; L186-L190 PolarHBondContact O-N 2.86Å; L186-I215 HydrophobicContact CB-CG2 3.98Å; L186-I215 HydrophobicContact CD2-CG2 4.34Å; L186-R219 HydrophobicContact CD1-CB 3.52Å; L186-R219 HydrophobicContact CD1-CG 4.11Å
187V98.2Very high96.1Very high81 Ų8149.8 Ų49.849%0.49125%0.247SC..Hα-helixtrans-62.6-43.9170.3179.80000110.2F183 V184 P185 A189 L190 D191F183-V187 HydrophobicContact CD2-CG2 4.28Å; F183-V187 PolarHBondContact O-N 3.12Å; F183-V187 VanDerWaalsContact O-N 3.16Å; V184-V187 WeakPolarHBondContact O-CB 3.44Å; V184-V187 PolarHBondContact O-N 3.41Å; P185-V187 VanDerWaalsContact C-N 3.33Å; V187-A189 VanDerWaalsContact C-N 3.32Å; V187-A189 PolarHBondContact O-N 2.86Å; V187-L190 PolarHBondContact O-N 2.9Å; V187-D191 PolarHBondContact O-N 2.69Å
188W98.5Very high96.6Very high45 Ų4552.9 Ų52.917%0.1725%0.253CS..Hα-helixtrans-64.2-37.1175.5-53.4-23.6000112.4Y131 L134 E167 I170 V184 P185 L186 D191 M192Y131-W188 AromaticContact CD1-CE3 3.93Å; Y131-W188 HydrophobicContact CD1-CE3 3.93Å; Y131-W188 HydrophobicContact CD2-CB 3.63Å; Y131-W188 AromaticContact CE1-CE3 3.7Å; Y131-W188 HydrophobicContact CE1-CE3 3.7Å; Y131-W188 HydrophobicContact CE1-CZ3 4.35Å; Y131-W188 HydrophobicContact CE2-CB 3.47Å; Y131-W188 VanDerWaalsContact CE2-CB 3.47Å; Y131-W188 HydrophobicContact CG-CB 4.25Å; Y131-W188 HydrophobicContact CG-CE3 4.49Å; L134-W188 HydrophobicContact CD2-CZ3 4.36Å; E167-W188 HydrophobicContact CB-CH2 3.98Å; E167-W188 HydrophobicContact CB-CZ3 3.9Å; E167-W188 HydrophobicContact CG-CH2 4.38Å; E167-W188 HydrophobicContact CG-CZ3 3.99Å; E167-W188 WeakPolarHBondContact O-CH2 3.42Å; I170-W188 HydrophobicContact CB-CZ2 4.35Å; I170-W188 HydrophobicContact CG2-CZ2 3.88Å; V184-W188 HydrophobicContact CG1-CD2 4.24Å; V184-W188 VanDerWaalsContact CG1-CE2 3.44Å; V184-W188 HydrophobicContact CG1-CH2 3.94Å; V184-W188 HydrophobicContact CG1-CZ2 3.28Å; V184-W188 PolarHBondContact O-N 3.22Å; P185-W188 HydrophobicContact CB-CE3 4.21Å; P185-W188 HydrophobicContact CG-CE3 4.46Å; P185-W188 HydrophobicContact CG-CZ3 4.36Å; P185-W188 WeakPolarHBondContact O-CB 3.08Å; P185-W188 PolarHBondContact O-N 2.89Å; L186-W188 VanDerWaalsContact C-N 3.34Å; W188-D191 PolarHBondContact O-N 3.46Å; W188-M192 VanDerWaalsContact O-CG 3.31Å; W188-M192 WeakPolarHBondContact O-CG 3.28Å; W188-M192 PolarHBondContact O-N 3.28Å
189A98.6Very high97Very high0 Ų049.5 Ų49.50%024%0.237CC..Hα-helixtrans-62.9-42.6174.800000111.8I128 Y131 P185 L186 V187 M192 V193 I215I128-A189 HydrophobicContact CG2-CB 4.35Å; Y131-A189 HydrophobicContact CD2-CB 4.28Å; P185-A189 PolarHBondContact O-N 3.12Å; L186-A189 PolarHBondContact O-N 3.26Å; V187-A189 VanDerWaalsContact C-N 3.32Å; V187-A189 PolarHBondContact O-N 2.86Å; A189-M192 PolarHBondContact O-N 3.23Å; A189-V193 WeakPolarHBondContact O-CG2 3.29Å; A189-V193 PolarHBondContact O-N 2.75Å; A189-V193 VanDerWaalsContact O-N 3.07Å; A189-I215 HydrophobicContact CB-CD1 4.09Å
190L98.5Very high97.3Very high47 Ų4744.7 Ų44.725%0.24623%0.23CC..Hα-helixtrans-63-43.8175.2-70.8171.1000111.9L186 V187 M192 V193 T194 T212 I215L186-L190 WeakPolarHBondContact O-CG 3.37Å; L186-L190 PolarHBondContact O-N 2.86Å; V187-L190 PolarHBondContact O-N 2.9Å; L190-M192 VanDerWaalsContact C-N 3.29Å; L190-M192 PolarHBondContact O-N 2.75Å; L190-V193 WeakPolarHBondContact O-CB 3.29Å; L190-V193 PolarHBondContact O-N 3.15Å; L190-V193 VanDerWaalsContact O-N 3.12Å; L190-T194 PolarHBondContact O-N 3.49Å; L190-T194 PolarHBondContact O-OG1 3.01Å; L190-T212 HydrophobicContact CD2-CG2 3.71Å; L190-I215 HydrophobicContact CD1-CG2 4.42Å; L190-I215 HydrophobicContact CD2-CB 3.98Å; L190-I215 HydrophobicContact CD2-CD1 3.8Å; L190-I215 HydrophobicContact CD2-CG1 4.49Å; L190-I215 HydrophobicContact CD2-CG2 3.98Å; L190-I215 HydrophobicContact CG-CB 4.47Å; L190-I215 HydrophobicContact CG-CD1 4.31Å; L190-I215 HydrophobicContact CG-CG2 3.92Å
191D98.1Very high97.6Very high72 Ų7244.3 Ų44.339%0.38522%0.222SC..Hα-helixtrans-61.1-38.3175.6-177.567.7000112.1V187 W188 V193 T194 K195V187-D191 PolarHBondContact O-N 2.69Å; W188-D191 PolarHBondContact O-N 3.46Å; D191-V193 VanDerWaalsContact C-N 3.35Å; D191-V193 PolarHBondContact O-N 3.47Å; D191-T194 PolarHBondContact O-N 2.95Å; D191-K195 WeakPolarHBondContact O-CG 3.45Å; D191-K195 PolarHBondContact O-N 2.99Å; D191-K195 WeakPolarHBondContact OD2-CE 3.24Å; D191-K195 IonicContact OD2-NZ 3.37Å; D191-K195 PolarHBondContact OD2-NZ 3.43Å
192M97.7Very high97.7Very high22 Ų2244 Ų4411%0.10822%0.22CC..Hα-helixtrans-64.3-36.7173.3-69.9-73.978.800113.2I128 Y131 W188 A189 L190 K195 A196I128-M192 HydrophobicContact CD1-CB 4.14Å; I128-M192 HydrophobicContact CG1-CB 3.61Å; I128-M192 HydrophobicContact CG1-CG 4.45Å; Y131-M192 HydrophobicContact CD2-CG 4.4Å; Y131-M192 HydrophobicContact CE2-CG 3.87Å; W188-M192 VanDerWaalsContact O-CG 3.31Å; W188-M192 WeakPolarHBondContact O-CG 3.28Å; W188-M192 PolarHBondContact O-N 3.28Å; A189-M192 PolarHBondContact O-N 3.23Å; L190-M192 VanDerWaalsContact C-N 3.29Å; L190-M192 PolarHBondContact O-N 2.75Å; M192-K195 HydrophobicContact CE-CB 4.24Å; M192-K195 HydrophobicContact CE-CD 3.37Å; M192-K195 HydrophobicContact CE-CG 4.36Å; M192-A196 VanDerWaalsContact O-CB 3.26Å; M192-A196 WeakPolarHBondContact O-CB 3.42Å; M192-A196 PolarHBondContact O-N 3.23Å
193V98.4Very high97.7Very high0 Ų051.1 Ų51.10%025%0.247CC..Hα-helixtrans-63.3-44.5173.6174.20000110.3I128 A189 L190 D191 A196 R197 I202 V208 L211 I215I128-V193 HydrophobicContact CD1-CG2 3.98Å; A189-V193 WeakPolarHBondContact O-CG2 3.29Å; A189-V193 PolarHBondContact O-N 2.75Å; A189-V193 VanDerWaalsContact O-N 3.07Å; L190-V193 WeakPolarHBondContact O-CB 3.29Å; L190-V193 PolarHBondContact O-N 3.15Å; L190-V193 VanDerWaalsContact O-N 3.12Å; D191-V193 VanDerWaalsContact C-N 3.35Å; D191-V193 PolarHBondContact O-N 3.47Å; V193-A196 PolarHBondContact O-N 3.18Å; V193-R197 PolarHBondContact O-N 2.97Å; V193-R197 VanDerWaalsContact O-N 3.09Å; V193-I202 HydrophobicContact CG1-CD1 3.94Å; V193-V208 HydrophobicContact CG1-CB 4.4Å; V193-V208 HydrophobicContact CG1-CG1 4.02Å; V193-V208 HydrophobicContact CG1-CG2 4.41Å; V193-L211 HydrophobicContact CG1-CB 4.01Å; V193-L211 HydrophobicContact CG1-CD1 3.98Å; V193-L211 HydrophobicContact CG2-CB 4.16Å; V193-L211 HydrophobicContact CG2-CD1 4.35Å; V193-I215 HydrophobicContact CG2-CD1 4.01Å
194T97.7Very high97.6Very high62 Ų6251.7 Ų51.738%0.3825%0.25SC..Hα-helixtrans-62.9-46.8177.7-52.30000111.6L190 D191 A196 R197 E198L190-T194 PolarHBondContact O-N 3.49Å; L190-T194 PolarHBondContact O-OG1 3.01Å; D191-T194 PolarHBondContact O-N 2.95Å; T194-A196 VanDerWaalsContact C-N 3.33Å; T194-A196 PolarHBondContact O-N 3.3Å; T194-R197 WeakPolarHBondContact O-CA 3.29Å; T194-R197 VanDerWaalsContact O-CB 3.31Å; T194-R197 WeakPolarHBondContact O-CB 3.41Å; T194-R197 PolarHBondContact O-N 3.01Å; T194-E198 WeakPolarHBondContact O-CG 3.33Å; T194-E198 PolarHBondContact O-N 2.89Å
195K97.4Very high97.6Very high76 Ų7656.4 Ų56.433%0.3328%0.275SS..Hα-helixtrans-62.4-39176.3-73.7172.9177.8160.80112.5D191 M192 R197 E198 E199D191-K195 WeakPolarHBondContact O-CG 3.45Å; D191-K195 PolarHBondContact O-N 2.99Å; D191-K195 WeakPolarHBondContact OD2-CE 3.24Å; D191-K195 IonicContact OD2-NZ 3.37Å; D191-K195 PolarHBondContact OD2-NZ 3.43Å; M192-K195 HydrophobicContact CE-CB 4.24Å; M192-K195 HydrophobicContact CE-CD 3.37Å; M192-K195 HydrophobicContact CE-CG 4.36Å; K195-R197 PolarHBondContact O-N 3.44Å; K195-E198 PolarHBondContact O-N 3.29Å; K195-E199 WeakPolarHBondContact O-CB 3.3Å; K195-E199 WeakPolarHBondContact O-CG 3.34Å; K195-E199 PolarHBondContact O-N 3.01Å
196A97.8Very high97.6Very high0 Ų063.3 Ų63.30%030%0.301CS..Hα-helixtrans-63-30.1174.900000112.7I124 M192 V193 T194 G200 Y201 I202I124-A196 HydrophobicContact CD1-CB 4.19Å; I124-A196 HydrophobicContact CG2-CB 3.75Å; M192-A196 VanDerWaalsContact O-CB 3.26Å; M192-A196 WeakPolarHBondContact O-CB 3.42Å; M192-A196 PolarHBondContact O-N 3.23Å; V193-A196 PolarHBondContact O-N 3.18Å; T194-A196 VanDerWaalsContact C-N 3.33Å; T194-A196 PolarHBondContact O-N 3.3Å; A196-G200 PolarHBondContact O-N 3.48Å; A196-Y201 PolarHBondContact O-N 3Å; A196-I202 HydrophobicContact CB-CD1 3.74Å; A196-I202 HydrophobicContact CB-CG1 3.93Å; A196-I202 PolarHBondContact O-N 2.57Å
197R98Very high97.5Very high83 Ų8363 Ų6331%0.31330%0.299SS..Hα-helixtrans-72.9-44.8173.2175.961.8-177.3109.40.6112V193 T194 K195 E199 G200 I202 D205 V208V193-R197 PolarHBondContact O-N 2.97Å; V193-R197 VanDerWaalsContact O-N 3.09Å; T194-R197 WeakPolarHBondContact O-CA 3.29Å; T194-R197 VanDerWaalsContact O-CB 3.31Å; T194-R197 WeakPolarHBondContact O-CB 3.41Å; T194-R197 PolarHBondContact O-N 3.01Å; K195-R197 PolarHBondContact O-N 3.44Å; R197-E199 VanDerWaalsContact C-N 3.33Å; R197-G200 PolarHBondContact O-N 3Å; R197-G200 VanDerWaalsContact O-N 3.13Å; R197-I202 HydrophobicContact CB-CB 4.34Å; R197-I202 WeakPolarHBondContact CD-O 3.24Å; R197-I202 PolarHBondContact NH1-O 2.99Å; R197-D205 IonicContact CZ-OD1 3.26Å; R197-D205 VanDerWaalsContact CZ-OD1 3.26Å; R197-D205 IonicContact NE-OD1 2.8Å; R197-D205 PolarHBondContact NE-OD1 3.44Å; R197-D205 IonicContact NH2-OD1 2.85Å; R197-D205 PolarHBondContact NH2-OD1 3.33Å; R197-V208 HydrophobicContact CB-CG2 3.74Å; R197-V208 HydrophobicContact CG-CG2 3.8Å
198E97.5Very high97.5Very high150 Ų15060.6 Ų60.670%0.70128%0.284SS*.Hα-helixtrans-61.9-40.8176.6-69.3173.1176.900111.8T194 K195 G200T194-E198 WeakPolarHBondContact O-CG 3.33Å; T194-E198 PolarHBondContact O-N 2.89Å; K195-E198 PolarHBondContact O-N 3.29Å; E198-G200 PolarHBondContact O-N 2.91Å
199E97.1Very high97.5Very high77 Ų7762.6 Ų62.636%0.3630%0.296SS..THydrogen-bonded Turntrans-76.4-3.2176.8-67.3175.9-146.900113R120 K195 R197 Y201R120-E199 WeakPolarHBondContact CG-OE2 3.21Å; R120-E199 IonicContact CZ-OE1 3.6Å; R120-E199 IonicContact CZ-OE2 2.69Å; R120-E199 IonicContact NE-OE1 3.8Å; R120-E199 IonicContact NE-OE2 2.66Å; R120-E199 PolarHBondContact NE-OE2 2.96Å; R120-E199 IonicContact NH2-OE1 3.31Å; R120-E199 PolarHBondContact NH2-OE1 2.93Å; R120-E199 IonicContact NH2-OE2 2.8Å; K195-E199 WeakPolarHBondContact O-CB 3.3Å; K195-E199 WeakPolarHBondContact O-CG 3.34Å; K195-E199 PolarHBondContact O-N 3.01Å; R197-E199 VanDerWaalsContact C-N 3.33Å; E199-Y201 VanDerWaalsContact C-N 3.32Å; E199-Y201 HydrophobicContact CB-CD2 3.73Å; E199-Y201 HydrophobicContact CB-CE2 3.68Å; E199-Y201 PolarHBondContact O-N 3.3Å; E199-Y201 VanDerWaalsContact OE2-CE2 3.27Å; E199-Y201 WeakPolarHBondContact OE2-CE2 3.31Å
200G97.1Very high97.5Very high41 Ų4164.4 Ų64.442%0.42331%0.305SS..THydrogen-bonded Turntrans78.65.8175.400000115.7A196 R197 E198 I202A196-G200 PolarHBondContact O-N 3.48Å; R197-G200 PolarHBondContact O-N 3Å; R197-G200 VanDerWaalsContact O-N 3.13Å; E198-G200 PolarHBondContact O-N 2.91Å; G200-I202 VanDerWaalsContact C-N 3.35Å
201Y97.6Very high97.5Very high59 Ų5962.2 Ų62.223%0.23129%0.294CS..SBendtrans-70.8-32.6174.1-59.4-55.1000112.2H115 R120 P121 I124 A196 E199H115-Y201 PolarHBondContact CD2-O 3.42Å; H115-Y201 PolarHBondContact N-O 3.31Å; H115-Y201 WeakPolarHBondContact O-CD1 3.49Å; R120-Y201 HydrophobicContact CB-CE2 4.41Å; R120-Y201 HydrophobicContact CG-CE2 3.65Å; R120-Y201 WeakPolarHBondContact CG-OH 3.44Å; P121-Y201 HydrophobicContact CB-CD1 3.83Å; P121-Y201 HydrophobicContact CB-CD2 4.35Å; P121-Y201 HydrophobicContact CB-CE1 4.06Å; P121-Y201 HydrophobicContact CB-CG 4Å; P121-Y201 HydrophobicContact CG-CD1 4.1Å; P121-Y201 HydrophobicContact CG-CE1 3.89Å; I124-Y201 HydrophobicContact CD1-CD2 3.59Å; I124-Y201 HydrophobicContact CD1-CE2 3.83Å; A196-Y201 PolarHBondContact O-N 3Å; E199-Y201 VanDerWaalsContact C-N 3.32Å; E199-Y201 HydrophobicContact CB-CD2 3.73Å; E199-Y201 HydrophobicContact CB-CE2 3.68Å; E199-Y201 PolarHBondContact O-N 3.3Å; E199-Y201 VanDerWaalsContact OE2-CE2 3.27Å; E199-Y201 WeakPolarHBondContact OE2-CE2 3.31Å
202I97.7Very high97.5Very high1 Ų160.9 Ų60.91%0.00529%0.288CS..BIsolated β-bridgetrans-97.5121.4166.6-59.4175.4000108.1C114 V193 A196 R197 G200 A207 V208 L211C114-I202 HydrophobicContact CB-CG1 4.37Å; V193-I202 HydrophobicContact CG1-CD1 3.94Å; A196-I202 HydrophobicContact CB-CD1 3.74Å; A196-I202 HydrophobicContact CB-CG1 3.93Å; A196-I202 PolarHBondContact O-N 2.57Å; R197-I202 HydrophobicContact CB-CB 4.34Å; R197-I202 WeakPolarHBondContact CD-O 3.24Å; R197-I202 PolarHBondContact NH1-O 2.99Å; G200-I202 VanDerWaalsContact C-N 3.35Å; I202-A207 HydrophobicContact CG2-CB 3.64Å; I202-V208 HydrophobicContact CG2-CG2 3.94Å; I202-L211 HydrophobicContact CD1-CD1 3.7Å
203R94.7Very high97.5Very high165 Ų16563.7 Ų63.762%0.62330%0.303SS*.  trans-87.3-23.8-166-66.4176.3-174.5178.44.7115.1H115H115-R203 PolarHBondContact CD2-NE 3.35Å; H115-R203 VanDerWaalsContact CD2-NE 3.33Å
204F95.6Very high97.5Very high91 Ų9165 Ų6540%0.39931%0.31SS..  trans-144.4147.1-171.953-92.9000112F113 R206 A207F113-F204 AromaticContact CD1-CZ 3.81Å; F113-F204 HydrophobicContact CD1-CZ 3.81Å; F113-F204 HydrophobicContact CE1-CE2 4.45Å; F113-F204 AromaticContact CE1-CZ 3.92Å; F113-F204 HydrophobicContact CE1-CZ 3.92Å; F204-R206 VanDerWaalsContact C-N 3.26Å; F204-R206 HydrophobicContact CD2-CB 3.91Å; F204-R206 HydrophobicContact CE2-CB 4.33Å; F204-R206 PolarHBondContact O-N 2.71Å; F204-A207 HydrophobicContact CD2-CB 3.76Å; F204-A207 VanDerWaalsContact CD2-N 3.31Å; F204-A207 HydrophobicContact CE2-CB 3.42Å; F204-A207 VanDerWaalsContact CE2-CB 3.42Å; F204-A207 HydrophobicContact CG-CB 4.5Å; F204-A207 HydrophobicContact CZ-CB 3.88Å; F204-A207 WeakPolarHBondContact O-CB 3.46Å; F204-A207 PolarHBondContact O-N 3.08Å; F204-A207 VanDerWaalsContact O-N 3.07Å
205D97.1Very high97.5Very high107 Ų10762.1 Ų62.157%0.57229%0.292SS*.Hα-helixtrans-68.1-27.8-169.9-55.7-20.4000112.4R197 A207 V208 E209R197-D205 IonicContact CZ-OD1 3.26Å; R197-D205 VanDerWaalsContact CZ-OD1 3.26Å; R197-D205 IonicContact NE-OD1 2.8Å; R197-D205 PolarHBondContact NE-OD1 3.44Å; R197-D205 IonicContact NH2-OD1 2.85Å; R197-D205 PolarHBondContact NH2-OD1 3.33Å; D205-A207 PolarHBondContact O-N 2.77Å; D205-V208 WeakPolarHBondContact O-CB 3.25Å; D205-V208 PolarHBondContact O-N 3.19Å; D205-E209 PolarHBondContact O-N 2.66Å
206R97.8Very high97.6Very high145 Ų14561.8 Ų61.855%0.54730%0.296SS..Hα-helixtrans-60.3-31.9174.1-17659.6177.1-178.34.5112.6F204 E209 I210F204-R206 VanDerWaalsContact C-N 3.26Å; F204-R206 HydrophobicContact CD2-CB 3.91Å; F204-R206 HydrophobicContact CE2-CB 4.33Å; F204-R206 PolarHBondContact O-N 2.71Å; R206-E209 WeakPolarHBondContact CD-OE2 3.23Å; R206-E209 IonicContact CZ-OE1 2.66Å; R206-E209 IonicContact CZ-OE2 3.14Å; R206-E209 IonicContact NE-OE2 3.01Å; R206-E209 IonicContact NH1-OE1 2.77Å; R206-E209 PolarHBondContact NH1-OE1 3.12Å; R206-E209 IonicContact NH1-OE2 2.66Å; R206-E209 PolarHBondContact NH1-OE2 3.39Å; R206-I210 HydrophobicContact CG-CD1 4.15Å; R206-I210 WeakPolarHBondContact O-CD1 3.04Å; R206-I210 VanDerWaalsContact O-CG1 3.27Å; R206-I210 WeakPolarHBondContact O-CG1 3.47Å; R206-I210 PolarHBondContact O-N 3.32Å
207A97.5Very high97.5Very high0 Ų064.5 Ų64.50%032%0.315CS..Hα-helixtrans-68.6-38.8174.500000111.6F113 I202 F204 D205 E209 I210 L211F113-A207 HydrophobicContact CB-CB 3.77Å; F113-A207 HydrophobicContact CD1-CB 4.1Å; F113-A207 HydrophobicContact CD2-CB 3.73Å; F113-A207 HydrophobicContact CE2-CB 4.33Å; F113-A207 HydrophobicContact CG-CB 3.6Å; I202-A207 HydrophobicContact CG2-CB 3.64Å; F204-A207 HydrophobicContact CD2-CB 3.76Å; F204-A207 VanDerWaalsContact CD2-N 3.31Å; F204-A207 HydrophobicContact CE2-CB 3.42Å; F204-A207 VanDerWaalsContact CE2-CB 3.42Å; F204-A207 HydrophobicContact CG-CB 4.5Å; F204-A207 HydrophobicContact CZ-CB 3.88Å; F204-A207 WeakPolarHBondContact O-CB 3.46Å; F204-A207 PolarHBondContact O-N 3.08Å; F204-A207 VanDerWaalsContact O-N 3.07Å; D205-A207 PolarHBondContact O-N 2.77Å; A207-E209 VanDerWaalsContact C-N 3.34Å; A207-I210 PolarHBondContact O-N 3.33Å; A207-L211 WeakPolarHBondContact O-CB 3.35Å; A207-L211 VanDerWaalsContact O-CG 3.27Å; A207-L211 WeakPolarHBondContact O-CG 3.31Å; A207-L211 PolarHBondContact O-N 2.93Å
208V98.2Very high97.5Very high29 Ų2960.9 Ų60.918%0.17630%0.302CS..Hα-helixtrans-61.6-44.6175.9176.90000110.5V193 R197 I202 D205 L211 T212V193-V208 HydrophobicContact CG1-CB 4.4Å; V193-V208 HydrophobicContact CG1-CG1 4.02Å; V193-V208 HydrophobicContact CG1-CG2 4.41Å; R197-V208 HydrophobicContact CB-CG2 3.74Å; R197-V208 HydrophobicContact CG-CG2 3.8Å; I202-V208 HydrophobicContact CG2-CG2 3.94Å; D205-V208 WeakPolarHBondContact O-CB 3.25Å; D205-V208 PolarHBondContact O-N 3.19Å; V208-L211 PolarHBondContact O-N 2.81Å; V208-T212 VanDerWaalsContact O-CB 3.25Å; V208-T212 WeakPolarHBondContact O-CB 3.45Å; V208-T212 PolarHBondContact O-N 3.36Å; V208-T212 PolarHBondContact O-OG1 3.14Å
209E97.9Very high97.6Very high87 Ų8757.4 Ų57.441%0.40728%0.282SS..Hα-helixtrans-60.7-46.9176.2-169.1-165.1152.900111.7D205 R206 A207 T212 N213D205-E209 PolarHBondContact O-N 2.66Å; R206-E209 WeakPolarHBondContact CD-OE2 3.23Å; R206-E209 IonicContact CZ-OE1 2.66Å; R206-E209 IonicContact CZ-OE2 3.14Å; R206-E209 IonicContact NE-OE2 3.01Å; R206-E209 IonicContact NH1-OE1 2.77Å; R206-E209 PolarHBondContact NH1-OE1 3.12Å; R206-E209 IonicContact NH1-OE2 2.66Å; R206-E209 PolarHBondContact NH1-OE2 3.39Å; A207-E209 VanDerWaalsContact C-N 3.34Å; E209-T212 PolarHBondContact O-N 3.19Å; E209-N213 WeakPolarHBondContact O-CB 3.5Å; E209-N213 PolarHBondContact O-N 3.1Å; E209-N213 PolarHBondContact O-ND2 3.45Å
210I98.1Very high97.6Very high38 Ų3855.5 Ų55.520%0.19528%0.283CS..Hα-helixtrans-60.5-50.6178.3-68.3164.7000110.5F109 F113 R206 A207 T212 N213 E214F109-I210 HydrophobicContact CD1-CG2 4.1Å; F109-I210 HydrophobicContact CD2-CG2 3.92Å; F109-I210 HydrophobicContact CE1-CG2 4.17Å; F109-I210 HydrophobicContact CE2-CG2 3.94Å; F109-I210 HydrophobicContact CG-CG2 3.98Å; F109-I210 HydrophobicContact CZ-CG2 4.08Å; F113-I210 HydrophobicContact CE2-CB 4.22Å; F113-I210 HydrophobicContact CE2-CD1 4.14Å; F113-I210 HydrophobicContact CE2-CG2 3.95Å; F113-I210 HydrophobicContact CZ-CD1 4.11Å; R206-I210 HydrophobicContact CG-CD1 4.15Å; R206-I210 WeakPolarHBondContact O-CD1 3.04Å; R206-I210 VanDerWaalsContact O-CG1 3.27Å; R206-I210 WeakPolarHBondContact O-CG1 3.47Å; R206-I210 PolarHBondContact O-N 3.32Å; A207-I210 PolarHBondContact O-N 3.33Å; I210-T212 VanDerWaalsContact C-N 3.31Å; I210-T212 PolarHBondContact O-N 3.49Å; I210-N213 PolarHBondContact O-N 2.83Å; I210-E214 WeakPolarHBondContact O-CG 3.46Å; I210-E214 PolarHBondContact O-N 2.83Å
211L98.3Very high97.6Very high2 Ų257.5 Ų57.51%0.0128%0.28CS..Hα-helixtrans-60.7-41.5179.9-71169.1000111.9L106 F109 I110 F113 V193 I202 A207 V208 E214 I215L106-L211 HydrophobicContact CD1-CD2 3.83Å; F109-L211 HydrophobicContact CB-CD2 3.68Å; I110-L211 HydrophobicContact CG1-CD2 3.7Å; F113-L211 HydrophobicContact CB-CD1 4.45Å; F113-L211 HydrophobicContact CD2-CD1 4.45Å; F113-L211 HydrophobicContact CD2-CD2 4.47Å; F113-L211 HydrophobicContact CD2-CG 4.23Å; V193-L211 HydrophobicContact CG1-CB 4.01Å; V193-L211 HydrophobicContact CG1-CD1 3.98Å; V193-L211 HydrophobicContact CG2-CB 4.16Å; V193-L211 HydrophobicContact CG2-CD1 4.35Å; I202-L211 HydrophobicContact CD1-CD1 3.7Å; A207-L211 WeakPolarHBondContact O-CB 3.35Å; A207-L211 VanDerWaalsContact O-CG 3.27Å; A207-L211 WeakPolarHBondContact O-CG 3.31Å; A207-L211 PolarHBondContact O-N 2.93Å; V208-L211 PolarHBondContact O-N 2.81Å; L211-E214 PolarHBondContact O-N 3Å; L211-I215 WeakPolarHBondContact O-CG1 3.36Å; L211-I215 PolarHBondContact O-N 3.44Å
212T98.2Very high97.6Very high43 Ų4354.8 Ų54.826%0.26427%0.27SS..Hα-helixtrans-62.6-45.9177.2-62.50000111.4L190 V208 E209 I210 E214 I215 T216L190-T212 HydrophobicContact CD2-CG2 3.71Å; V208-T212 VanDerWaalsContact O-CB 3.25Å; V208-T212 WeakPolarHBondContact O-CB 3.45Å; V208-T212 PolarHBondContact O-N 3.36Å; V208-T212 PolarHBondContact O-OG1 3.14Å; E209-T212 PolarHBondContact O-N 3.19Å; I210-T212 VanDerWaalsContact C-N 3.31Å; I210-T212 PolarHBondContact O-N 3.49Å; T212-E214 VanDerWaalsContact C-N 3.31Å; T212-E214 PolarHBondContact O-N 2.99Å; T212-I215 PolarHBondContact O-N 2.88Å; T212-T216 HydrophobicContact CG2-CG2 4.44Å; T212-T216 VanDerWaalsContact O-CG2 3.32Å; T212-T216 WeakPolarHBondContact O-CG2 3.27Å; T212-T216 PolarHBondContact O-N 3.45Å; T212-T216 PolarHBondContact O-OG1 3.49Å
213N98.1Very high97.6Very high81 Ų8155.5 Ų55.543%0.43328%0.278SS..Hα-helixtrans-63.6-36.2178.3-73.6-21.1000112.4E209 I210 T216 S217E209-N213 WeakPolarHBondContact O-CB 3.5Å; E209-N213 PolarHBondContact O-N 3.1Å; E209-N213 PolarHBondContact O-ND2 3.45Å; I210-N213 PolarHBondContact O-N 2.83Å; N213-T216 WeakPolarHBondContact CA-OG1 3.29Å; N213-T216 PolarHBondContact O-OG1 3.4Å; N213-T216 VanDerWaalsContact O-OG1 3.08Å; N213-S217 WeakPolarHBondContact O-CB 3Å; N213-S217 PolarHBondContact O-N 2.81Å
214E98Very high97.7Very high28 Ų2850.5 Ų50.513%0.13127%0.265CS..Hα-helixtrans-70.4-39.9176-68.4-61.2143.600112.3R105 L106 F109 I210 L211 T212 S217 F218R105-E214 VanDerWaalsContact CD-OE2 3.24Å; R105-E214 WeakPolarHBondContact CD-OE2 3.49Å; R105-E214 WeakPolarHBondContact CG-OE2 3.34Å; R105-E214 IonicContact CZ-OE1 2.65Å; R105-E214 IonicContact CZ-OE2 2.7Å; R105-E214 IonicContact NE-OE1 2.85Å; R105-E214 PolarHBondContact NE-OE1 3.21Å; R105-E214 IonicContact NE-OE2 3.67Å; R105-E214 PolarHBondContact NE-OE2 3.16Å; R105-E214 IonicContact NH2-OE1 3.54Å; R105-E214 PolarHBondContact NH2-OE1 2.92Å; L106-E214 HydrophobicContact CB-CB 4.38Å; L106-E214 HydrophobicContact CD1-CB 3.9Å; L106-E214 HydrophobicContact CD2-CB 4.46Å; L106-E214 HydrophobicContact CG-CB 4.49Å; F109-E214 HydrophobicContact CD2-CG 3.71Å; F109-E214 HydrophobicContact CE2-CG 3.74Å; I210-E214 WeakPolarHBondContact O-CG 3.46Å; I210-E214 PolarHBondContact O-N 2.83Å; L211-E214 PolarHBondContact O-N 3Å; T212-E214 VanDerWaalsContact C-N 3.31Å; T212-E214 PolarHBondContact O-N 2.99Å; E214-S217 PolarHBondContact O-N 2.84Å; E214-F218 WeakPolarHBondContact O-CB 3.37Å; E214-F218 PolarHBondContact O-N 3.43Å
215I98.5Very high97.8Very high1 Ų146.2 Ų46.21%0.00525%0.247CC..Hα-helixtrans-63.8-44.5174.4-68.9163.6000110.6L106 L186 A189 L190 V193 L211 T212 F218 R219L106-I215 HydrophobicContact CD1-CG1 4.13Å; L106-I215 HydrophobicContact CD2-CB 4.49Å; L106-I215 HydrophobicContact CD2-CG1 3.58Å; L106-I215 HydrophobicContact CG-CG1 4.5Å; L186-I215 HydrophobicContact CB-CG2 3.98Å; L186-I215 HydrophobicContact CD2-CG2 4.34Å; A189-I215 HydrophobicContact CB-CD1 4.09Å; L190-I215 HydrophobicContact CD1-CG2 4.42Å; L190-I215 HydrophobicContact CD2-CB 3.98Å; L190-I215 HydrophobicContact CD2-CD1 3.8Å; L190-I215 HydrophobicContact CD2-CG1 4.49Å; L190-I215 HydrophobicContact CD2-CG2 3.98Å; L190-I215 HydrophobicContact CG-CB 4.47Å; L190-I215 HydrophobicContact CG-CD1 4.31Å; L190-I215 HydrophobicContact CG-CG2 3.92Å; V193-I215 HydrophobicContact CG2-CD1 4.01Å; L211-I215 WeakPolarHBondContact O-CG1 3.36Å; L211-I215 PolarHBondContact O-N 3.44Å; T212-I215 PolarHBondContact O-N 2.88Å; I215-F218 WeakPolarHBondContact O-CB 3.39Å; I215-F218 PolarHBondContact O-N 2.64Å; I215-R219 PolarHBondContact O-N 3.4Å
216T98Very high97.7Very high69 Ų6942.9 Ų42.942%0.42323%0.227SC..Hα-helixtrans-70.5-32.7178.661.50000112.3T212 N213 R219 G220T212-T216 HydrophobicContact CG2-CG2 4.44Å; T212-T216 VanDerWaalsContact O-CG2 3.32Å; T212-T216 WeakPolarHBondContact O-CG2 3.27Å; T212-T216 PolarHBondContact O-N 3.45Å; T212-T216 PolarHBondContact O-OG1 3.49Å; N213-T216 WeakPolarHBondContact CA-OG1 3.29Å; N213-T216 PolarHBondContact O-OG1 3.4Å; N213-T216 VanDerWaalsContact O-OG1 3.08Å; T216-R219 WeakPolarHBondContact O-CB 3.38Å; T216-R219 PolarHBondContact O-N 2.99Å; T216-G220 PolarHBondContact O-N 3.29Å
217S97.8Very high97.6Very high57 Ų5738.2 Ų38.240%0.39922%0.22SC..Hα-helixtrans-63.8-43.7170.4-173.30000111.7N213 E214 R219 G220 K221N213-S217 WeakPolarHBondContact O-CB 3Å; N213-S217 PolarHBondContact O-N 2.81Å; E214-S217 PolarHBondContact O-N 2.84Å; S217-R219 VanDerWaalsContact C-N 3.31Å; S217-R219 PolarHBondContact O-N 2.93Å; S217-G220 PolarHBondContact O-N 3.22Å; S217-G220 VanDerWaalsContact O-N 3.13Å; S217-K221 PolarHBondContact O-N 3.13Å
218F97.9Very high97.6Very high8 Ų840.1 Ų40.14%0.03523%0.227CC..Hα-helixtrans-58.2-44.8173.8-164-76.3000111P101 P103 I132 Y136 E214 I215 G220 K221 L222P101-F218 HydrophobicContact CB-CD1 4.09Å; P101-F218 HydrophobicContact CB-CD2 3.57Å; P101-F218 HydrophobicContact CB-CE1 4.08Å; P101-F218 HydrophobicContact CB-CE2 3.54Å; P101-F218 HydrophobicContact CB-CG 3.83Å; P101-F218 HydrophobicContact CB-CZ 3.8Å; P101-F218 HydrophobicContact CG-CD1 3.97Å; P101-F218 HydrophobicContact CG-CD2 4.23Å; P101-F218 HydrophobicContact CG-CE1 3.65Å; P101-F218 HydrophobicContact CG-CE2 3.91Å; P101-F218 HydrophobicContact CG-CG 4.24Å; P101-F218 HydrophobicContact CG-CZ 3.6Å; P103-F218 HydrophobicContact CB-CE2 4.37Å; I132-F218 HydrophobicContact CG2-CD1 4.02Å; I132-F218 HydrophobicContact CG2-CD2 3.76Å; I132-F218 HydrophobicContact CG2-CE1 3.72Å; I132-F218 HydrophobicContact CG2-CE2 3.46Å; I132-F218 VanDerWaalsContact CG2-CE2 3.46Å; I132-F218 HydrophobicContact CG2-CG 4.05Å; I132-F218 HydrophobicContact CG2-CZ 3.45Å; I132-F218 VanDerWaalsContact CG2-CZ 3.45Å; Y136-F218 HydrophobicContact CD2-CE1 4.01Å; Y136-F218 AromaticContact CD2-CZ 3.68Å; Y136-F218 HydrophobicContact CD2-CZ 3.68Å; Y136-F218 HydrophobicContact CG-CZ 4.25Å; E214-F218 WeakPolarHBondContact O-CB 3.37Å; E214-F218 PolarHBondContact O-N 3.43Å; I215-F218 WeakPolarHBondContact O-CB 3.39Å; I215-F218 PolarHBondContact O-N 2.64Å; F218-G220 PolarHBondContact O-N 2.68Å; F218-K221 PolarHBondContact O-N 2.69Å; F218-L222 HydrophobicContact CD1-CD1 4.04Å; F218-L222 HydrophobicContact CD1-CG 4.23Å; F218-L222 HydrophobicContact CE1-CD1 3.87Å; F218-L222 HydrophobicContact CE1-CG 4.14Å; F218-L222 PolarHBondContact O-N 3.41Å; F218-L222 VanDerWaalsContact O-N 3.09Å
219R97.8Very high97.5Very high77 Ų7741.6 Ų41.629%0.29123%0.234SC..Hα-helixtrans-59.9-43.5173.317752-172.283.9-4.4112.5Y182 L186 I215 T216 S217 K221 L222 G223Y182-R219 PolarHBondContact OH-NH1 3.15Å; Y182-R219 PolarHBondContact OH-NH2 3.16Å; L186-R219 HydrophobicContact CD1-CB 3.52Å; L186-R219 HydrophobicContact CD1-CG 4.11Å; I215-R219 PolarHBondContact O-N 3.4Å; T216-R219 WeakPolarHBondContact O-CB 3.38Å; T216-R219 PolarHBondContact O-N 2.99Å; S217-R219 VanDerWaalsContact C-N 3.31Å; S217-R219 PolarHBondContact O-N 2.93Å; R219-K221 VanDerWaalsContact C-N 3.35Å; R219-L222 PolarHBondContact O-N 3.46Å; R219-G223 VanDerWaalsContact NH1-CA 3.34Å; R219-G223 PolarHBondContact O-N 3.46Å
220G97.6Very high97.3Very high37 Ų3747.9 Ų47.938%0.38125%0.254SS..Hα-helixtrans-59.4-47179.100000111.4T216 S217 F218 G223 T224T216-G220 PolarHBondContact O-N 3.29Å; S217-G220 PolarHBondContact O-N 3.22Å; S217-G220 VanDerWaalsContact O-N 3.13Å; F218-G220 PolarHBondContact O-N 2.68Å; G220-G223 CarbonylContact O-C 3.54Å; G220-G223 WeakPolarHBondContact O-CA 3.46Å; G220-G223 PolarHBondContact O-N 3.09Å; G220-T224 PolarHBondContact O-N 3.31Å; G220-T224 PolarHBondContact O-OG1 2.92Å
221K98.2Very high97.2Very high82 Ų8249.9 Ų49.936%0.35727%0.268SS..Hα-helixtrans-58.3-47.3175.2-82-173.4-178.1-171.30113.5A99 P101 S217 F218 R219 G223 T224 I225A99-K221 VanDerWaalsContact O-CB 3.25Å; A99-K221 WeakPolarHBondContact O-CB 3.47Å; P101-K221 HydrophobicContact CB-CB 3.84Å; P101-K221 HydrophobicContact CB-CD 3.81Å; P101-K221 HydrophobicContact CB-CG 4.49Å; P101-K221 HydrophobicContact CG-CB 4.16Å; S217-K221 PolarHBondContact O-N 3.13Å; F218-K221 PolarHBondContact O-N 2.69Å; R219-K221 VanDerWaalsContact C-N 3.35Å; K221-G223 VanDerWaalsContact C-N 3.28Å; K221-G223 PolarHBondContact O-N 3.42Å; K221-T224 WeakPolarHBondContact O-CB 3.26Å; K221-T224 PolarHBondContact O-N 2.91Å; K221-I225 PolarHBondContact O-N 3.46Å
222L97.7Very high97Very high2 Ų254 Ų541%0.0129%0.291CS..Hα-helixtrans-59.3-41.4171.6-70.1-177.8000111.8P101 S135 Y136 A139 Y182 F218 R219 T224 I225 F226P101-L222 HydrophobicContact CG-CD2 3.65Å; P101-L222 HydrophobicContact CG-CG 3.92Å; S135-L222 WeakPolarHBondContact OG-CD1 3.36Å; Y136-L222 HydrophobicContact CD2-CD2 3.89Å; Y136-L222 HydrophobicContact CE2-CD2 4.41Å; A139-L222 HydrophobicContact CB-CD1 4Å; A139-L222 HydrophobicContact CB-CD2 3.85Å; A139-L222 HydrophobicContact CB-CG 4.36Å; Y182-L222 HydrophobicContact CD2-CB 4.22Å; Y182-L222 HydrophobicContact CD2-CD1 4.02Å; Y182-L222 HydrophobicContact CE2-CB 3.78Å; Y182-L222 HydrophobicContact CE2-CD1 4.37Å; F218-L222 HydrophobicContact CD1-CD1 4.04Å; F218-L222 HydrophobicContact CD1-CG 4.23Å; F218-L222 HydrophobicContact CE1-CD1 3.87Å; F218-L222 HydrophobicContact CE1-CG 4.14Å; F218-L222 PolarHBondContact O-N 3.41Å; F218-L222 VanDerWaalsContact O-N 3.09Å; R219-L222 PolarHBondContact O-N 3.46Å; L222-T224 VanDerWaalsContact C-N 3.33Å; L222-T224 PolarHBondContact O-N 3.16Å; L222-I225 PolarHBondContact O-N 3.46Å; L222-F226 WeakPolarHBondContact O-CD2 3.47Å; L222-F226 PolarHBondContact O-N 2.95Å
223G97Very high96.9Very high17 Ų1752.4 Ų52.418%0.17528%0.28CS..Hα-helixtrans-60.3-40.7176.100000113.3Y182 R219 G220 K221 F226 A227Y182-G223 WeakPolarHBondContact OH-CA 3.5Å; R219-G223 VanDerWaalsContact NH1-CA 3.34Å; R219-G223 PolarHBondContact O-N 3.46Å; G220-G223 CarbonylContact O-C 3.54Å; G220-G223 WeakPolarHBondContact O-CA 3.46Å; G220-G223 PolarHBondContact O-N 3.09Å; K221-G223 VanDerWaalsContact C-N 3.28Å; K221-G223 PolarHBondContact O-N 3.42Å; G223-F226 PolarHBondContact O-N 3.05Å; G223-A227 PolarHBondContact O-N 2.94Å
224T97.4Very high96.8Very high59 Ų5952.2 Ų52.236%0.36228%0.284SS..Hα-helixtrans-59.8-45.8174.5-61.80000111.2A99 G220 K221 L222 A227 Y228A99-T224 HydrophobicContact CB-CG2 3.73Å; G220-T224 PolarHBondContact O-N 3.31Å; G220-T224 PolarHBondContact O-OG1 2.92Å; K221-T224 WeakPolarHBondContact O-CB 3.26Å; K221-T224 PolarHBondContact O-N 2.91Å; L222-T224 VanDerWaalsContact C-N 3.33Å; L222-T224 PolarHBondContact O-N 3.16Å; T224-A227 WeakPolarHBondContact O-CB 3.28Å; T224-A227 PolarHBondContact O-N 2.85Å; T224-A227 VanDerWaalsContact O-N 3.15Å; T224-Y228 HydrophobicContact CG2-CD2 3.98Å; T224-Y228 HydrophobicContact CG2-CE2 3.57Å; T224-Y228 WeakPolarHBondContact O-CD2 3.34Å; T224-Y228 PolarHBondContact O-N 3.35Å; T224-Y228 VanDerWaalsContact O-N 3.12Å
225I96.4Very high96.8Very high2 Ų256.6 Ų56.61%0.0131%0.307CS..Hα-helixtrans-65.4-43178.8-58.6167.2000111.2A99 L100 I143 K221 L222 A227 Y228 D229 F299A99-I225 HydrophobicContact CB-CD1 4.32Å; A99-I225 HydrophobicContact CB-CG1 3.69Å; A99-I225 WeakPolarHBondContact O-CD1 3.4Å; L100-I225 HydrophobicContact CB-CD1 4.36Å; L100-I225 HydrophobicContact CD2-CD1 3.51Å; L100-I225 HydrophobicContact CG-CD1 3.83Å; I143-I225 HydrophobicContact CD1-CB 4.29Å; I143-I225 HydrophobicContact CD1-CG2 3.19Å; K221-I225 PolarHBondContact O-N 3.46Å; L222-I225 PolarHBondContact O-N 3.46Å; I225-A227 PolarHBondContact O-N 2.69Å; I225-Y228 PolarHBondContact O-N 3.47Å; I225-Y228 VanDerWaalsContact O-N 3.09Å; I225-D229 PolarHBondContact O-N 3.46Å; I225-D229 VanDerWaalsContact O-N 3.08Å; I225-F299 HydrophobicContact CG2-CE1 4.27Å; I225-F299 HydrophobicContact CG2-CE2 3.65Å; I225-F299 HydrophobicContact CG2-CZ 3.43Å; I225-F299 VanDerWaalsContact CG2-CZ 3.43Å
226F95.5Very high96.8Very high36 Ų3661 Ų6116%0.15834%0.335CS..Hα-helixtrans-57-37.2172.6-97.2-82.9000112.6A139 A142 I143 T180 Y182 L222 G223 D229 W230A139-F226 HydrophobicContact CB-CD2 4.41Å; A139-F226 HydrophobicContact CB-CE2 3.54Å; A139-F226 HydrophobicContact CB-CZ 4.34Å; A142-F226 HydrophobicContact CB-CE1 3.86Å; A142-F226 HydrophobicContact CB-CZ 3.7Å; I143-F226 HydrophobicContact CG2-CD1 4.33Å; I143-F226 HydrophobicContact CG2-CE1 4.33Å; T180-F226 HydrophobicContact CG2-CE1 4.41Å; T180-F226 HydrophobicContact CG2-CZ 3.94Å; Y182-F226 AromaticContact CD1-CD2 3.89Å; Y182-F226 HydrophobicContact CD1-CD2 3.89Å; Y182-F226 HydrophobicContact CD1-CE1 4.27Å; Y182-F226 AromaticContact CD1-CE2 3.21Å; Y182-F226 HydrophobicContact CD1-CE2 3.21Å; Y182-F226 AromaticContact CD1-CZ 3.45Å; Y182-F226 HydrophobicContact CD1-CZ 3.45Å; Y182-F226 VanDerWaalsContact CD1-CZ 3.45Å; Y182-F226 HydrophobicContact CD2-CE2 4.17Å; Y182-F226 HydrophobicContact CE1-CD1 4.26Å; Y182-F226 AromaticContact CE1-CD2 3.37Å; Y182-F226 HydrophobicContact CE1-CD2 3.37Å; Y182-F226 HydrophobicContact CE1-CE1 4.16Å; Y182-F226 AromaticContact CE1-CE2 3.22Å; Y182-F226 HydrophobicContact CE1-CE2 3.22Å; Y182-F226 AromaticContact CE1-CG 3.89Å; Y182-F226 HydrophobicContact CE1-CG 3.89Å; Y182-F226 AromaticContact CE1-CZ 3.66Å; Y182-F226 HydrophobicContact CE1-CZ 3.66Å; Y182-F226 HydrophobicContact CE2-CD2 4.16Å; Y182-F226 HydrophobicContact CE2-CE2 4.17Å; Y182-F226 HydrophobicContact CG-CD2 4.47Å; Y182-F226 AromaticContact CG-CE2 3.7Å; Y182-F226 HydrophobicContact CG-CE2 3.7Å; Y182-F226 HydrophobicContact CG-CZ 4.21Å; Y182-F226 AromaticContact CZ-CD2 3.49Å; Y182-F226 VanDerWaalsContact CZ-CD2 3.49Å; Y182-F226 AromaticContact CZ-CE2 3.7Å; L222-F226 WeakPolarHBondContact O-CD2 3.47Å; L222-F226 PolarHBondContact O-N 2.95Å; G223-F226 PolarHBondContact O-N 3.05Å; F226-D229 PolarHBondContact O-N 2.98Å; F226-W230 WeakPolarHBondContact O-CB 3.25Å; F226-W230 PolarHBondContact O-N 2.95Å
227A96.1Very high96.7Very high48 Ų4861.1 Ų61.140%0.39733%0.327SS..Hα-helixtrans-67.2-36.2177.200000112.1G223 T224 I225 V231G223-A227 PolarHBondContact O-N 2.94Å; T224-A227 WeakPolarHBondContact O-CB 3.28Å; T224-A227 PolarHBondContact O-N 2.85Å; T224-A227 VanDerWaalsContact O-N 3.15Å; I225-A227 PolarHBondContact O-N 2.69Å; A227-V231 WeakPolarHBondContact O-CA 3.14Å; A227-V231 WeakPolarHBondContact O-CB 3.47Å; A227-V231 PolarHBondContact O-N 2.87Å
228Y96.9Very high96.7Very high40 Ų4059.9 Ų59.916%0.15732%0.318CS..Hα-helixtrans-68.6-37.9175-78.1-73.3000112.9R92 E95 Q96 T224 I225 V231R92-Y228 HydrophobicContact CB-CD1 4.49Å; R92-Y228 HydrophobicContact CB-CE1 4.22Å; R92-Y228 HydrophobicContact CG-CE1 4.08Å; R92-Y228 PolarHBondContact NH2-O 2.87Å; E95-Y228 HydrophobicContact CB-CE2 4.32Å; E95-Y228 VanDerWaalsContact CB-OH 3.29Å; E95-Y228 WeakPolarHBondContact CB-OH 3.49Å; E95-Y228 PolarHBondContact OE2-OH 3.39Å; Q96-Y228 HydrophobicContact CG-CD1 3.93Å; Q96-Y228 HydrophobicContact CG-CD2 3.47Å; Q96-Y228 VanDerWaalsContact CG-CD2 3.47Å; Q96-Y228 HydrophobicContact CG-CE1 4.5Å; Q96-Y228 HydrophobicContact CG-CE2 4.1Å; Q96-Y228 HydrophobicContact CG-CG 3.39Å; T224-Y228 HydrophobicContact CG2-CD2 3.98Å; T224-Y228 HydrophobicContact CG2-CE2 3.57Å; T224-Y228 WeakPolarHBondContact O-CD2 3.34Å; T224-Y228 PolarHBondContact O-N 3.35Å; T224-Y228 VanDerWaalsContact O-N 3.12Å; I225-Y228 PolarHBondContact O-N 3.47Å; I225-Y228 VanDerWaalsContact O-N 3.09Å; Y228-V231 CarbonylContact O-C 3.56Å
229D95.3Very high96.7Very high60 Ų6064.1 Ų64.132%0.32134%0.338SS..Hα-helixtrans-66.1-44.1175-179.271.6000111.5I143 I225 F226 N232I143-D229 HydrophobicContact CB-CB 4.31Å; I143-D229 HydrophobicContact CG2-CB 3.72Å; I225-D229 PolarHBondContact O-N 3.46Å; I225-D229 VanDerWaalsContact O-N 3.08Å; F226-D229 PolarHBondContact O-N 2.98Å; D229-N232 PolarHBondContact O-ND2 3.07Å
230W95.1Very high96.6Very high218 Ų21864 Ų6483%0.82635%0.345SS*.Hα-helixtrans-69.7-44.2178.1-176.840.9000112.6F226F226-W230 WeakPolarHBondContact O-CB 3.25Å; F226-W230 PolarHBondContact O-N 2.95Å
231V96.4Very high96.6Very high80 Ų8062.2 Ų62.249%0.48533%0.327SS..SBendtrans-106.384.2-176.1-170.20000110.2R92 A227 Y228R92-V231 PolarHBondContact NH1-O 2.94Å; R92-V231 PolarHBondContact NH2-O 2.93Å; A227-V231 WeakPolarHBondContact O-CA 3.14Å; A227-V231 WeakPolarHBondContact O-CB 3.47Å; A227-V231 PolarHBondContact O-N 2.87Å; Y228-V231 CarbonylContact O-C 3.56Å
232N93.2Very high96.5Very high90 Ų9060.3 Ų60.348%0.48132%0.323SS..PPolyproline II helixtrans-68.6160.8171.8-72-72.4000112D229D229-N232 PolarHBondContact O-ND2 3.07Å
233P95.6Very high96.5Very high8 Ų866 Ų665%0.05235%0.352CS..SBendtrans-50.1137.6165.8-22.933.1000110.1I89 L235 I296I89-P233 HydrophobicContact CD1-CB 4.18Å; I89-P233 HydrophobicContact CD1-CG 3.45Å; I89-P233 VanDerWaalsContact CD1-CG 3.45Å; P233-L235 PolarHBondContact O-N 2.91Å; P233-I296 HydrophobicContact CG-CD1 4.42Å; P233-I296 HydrophobicContact CG-CG1 4.29Å
234P97Very high96.4Very high78 Ų7866.4 Ų66.451%0.50635%0.353SS..PPolyproline II helixtrans-51.5127.8-176.4-28.334.5000111.2V236 Y237 T238P234-V236 HydrophobicContact CB-CG1 4.08Å; P234-V236 PolarHBondContact O-N 3.03Å; P234-V236 VanDerWaalsContact O-N 3.14Å; P234-Y237 WeakPolarHBondContact O-CA 3.27Å; P234-Y237 WeakPolarHBondContact O-CB 3.49Å; P234-Y237 PolarHBondContact O-N 3.13Å; P234-T238 PolarHBondContact O-N 3.49Å
235L97.1Very high96.3Very high119 Ų11963.6 Ų63.662%0.62334%0.336SS*.Hα-helixtrans-53.9-40.1-176176.961000111.8P233 Y237 T238 Q239P233-L235 PolarHBondContact O-N 2.91Å; L235-Y237 PolarHBondContact O-N 3.06Å; L235-T238 PolarHBondContact O-N 3.3Å; L235-Q239 HydrophobicContact CD1-CG 4.03Å; L235-Q239 HydrophobicContact CG-CG 4.17Å; L235-Q239 WeakPolarHBondContact O-CB 3.29Å; L235-Q239 VanDerWaalsContact O-CG 3.3Å; L235-Q239 WeakPolarHBondContact O-CG 3.46Å; L235-Q239 PolarHBondContact O-N 3.23Å
236V97.9Very high96.3Very high95 Ų9568.4 Ų68.458%0.57636%0.355SS*.Hα-helixtrans-57.3-35.3175.864.50000112.4P234 T240P234-V236 HydrophobicContact CB-CG1 4.08Å; P234-V236 PolarHBondContact O-N 3.03Å; P234-V236 VanDerWaalsContact O-N 3.14Å; V236-T240 VanDerWaalsContact O-CB 3.27Å; V236-T240 WeakPolarHBondContact O-CB 3.43Å; V236-T240 PolarHBondContact O-N 3.09Å; V236-T240 PolarHBondContact O-OG1 3.22Å
237Y97.3Very high96.3Very high70 Ų7068.7 Ų68.728%0.27537%0.368SS..Hα-helixtrans-71.8-48.5179.5-167.6-171.2000110.5F84 Y85 L88 P234 L235 Q239 T240 V241F84-Y237 WeakPolarHBondContact CB-OH 3.25Å; Y85-Y237 HydrophobicContact CD2-CD1 4.07Å; Y85-Y237 HydrophobicContact CD2-CD2 4.16Å; Y85-Y237 HydrophobicContact CD2-CE1 4.05Å; Y85-Y237 HydrophobicContact CD2-CE2 4.13Å; Y85-Y237 HydrophobicContact CD2-CG 4.13Å; Y85-Y237 PolarHBondContact N-OH 3.32Å; L88-Y237 HydrophobicContact CD2-CD1 4.1Å; L88-Y237 HydrophobicContact CD2-CE1 3.83Å; P234-Y237 WeakPolarHBondContact O-CA 3.27Å; P234-Y237 WeakPolarHBondContact O-CB 3.49Å; P234-Y237 PolarHBondContact O-N 3.13Å; L235-Y237 PolarHBondContact O-N 3.06Å; Y237-Q239 VanDerWaalsContact C-N 3.32Å; Y237-Q239 PolarHBondContact O-N 3.37Å; Y237-T240 PolarHBondContact O-N 3.29Å; Y237-V241 HydrophobicContact CD2-CG2 3.85Å; Y237-V241 HydrophobicContact CE2-CG2 3.79Å; Y237-V241 VanDerWaalsContact O-CG2 3.26Å; Y237-V241 WeakPolarHBondContact O-CG2 3.33Å; Y237-V241 PolarHBondContact O-N 3.43Å
238T97.5Very high96.3Very high31 Ų3166.7 Ų66.719%0.1935%0.35CS..Hα-helixtrans-55.3-48.4173.3-59.50000111Y85 P234 L235 T240 V241 T242Y85-T238 WeakPolarHBondContact OH-CG2 3.18Å; Y85-T238 PolarHBondContact OH-OG1 2.99Å; P234-T238 PolarHBondContact O-N 3.49Å; L235-T238 PolarHBondContact O-N 3.3Å; T238-T240 PolarHBondContact O-N 3.18Å; T238-V241 PolarHBondContact O-N 3.45Å; T238-T242 PolarHBondContact O-N 2.93Å; T238-T242 PolarHBondContact O-OG1 3.25Å
239Q97.6Very high96.2Very high98 Ų9865.2 Ų65.246%0.45834%0.344SS..Hα-helixtrans-61.5-43.1177.9-73.8175.8-22.400112.5L235 Y237 V241 T242 I243L235-Q239 HydrophobicContact CD1-CG 4.03Å; L235-Q239 HydrophobicContact CG-CG 4.17Å; L235-Q239 WeakPolarHBondContact O-CB 3.29Å; L235-Q239 VanDerWaalsContact O-CG 3.3Å; L235-Q239 WeakPolarHBondContact O-CG 3.46Å; L235-Q239 PolarHBondContact O-N 3.23Å; Y237-Q239 VanDerWaalsContact C-N 3.32Å; Y237-Q239 PolarHBondContact O-N 3.37Å; Q239-V241 VanDerWaalsContact C-N 3.33Å; Q239-V241 PolarHBondContact O-N 3.08Å; Q239-T242 PolarHBondContact O-N 3.15Å; Q239-I243 WeakPolarHBondContact O-CB 3.24Å; Q239-I243 WeakPolarHBondContact O-CD1 3.3Å; Q239-I243 WeakPolarHBondContact O-CG1 3.42Å; Q239-I243 PolarHBondContact O-N 3.11Å
240T96.5Very high96.2Very high73 Ų7364.2 Ų64.245%0.44835%0.348SS..Hα-helixtrans-61-43.8179.4-61.60000111.1V236 Y237 T238 I243 A244V236-T240 VanDerWaalsContact O-CB 3.27Å; V236-T240 WeakPolarHBondContact O-CB 3.43Å; V236-T240 PolarHBondContact O-N 3.09Å; V236-T240 PolarHBondContact O-OG1 3.22Å; Y237-T240 PolarHBondContact O-N 3.29Å; T238-T240 PolarHBondContact O-N 3.18Å; T240-I243 PolarHBondContact O-N 3.4Å; T240-A244 WeakPolarHBondContact O-CB 3.29Å; T240-A244 PolarHBondContact O-N 2.86Å
241V97.1Very high96.3Very high0 Ų056.1 Ų56.10%032%0.323CS..Hα-helixtrans-65.8-45.9178.2177.80000110.3V81 L82 Y85 Y237 T238 Q239 I243 A244 V245 L289V81-V241 HydrophobicContact CG1-CB 4.25Å; V81-V241 HydrophobicContact CG1-CG1 4.43Å; V81-V241 HydrophobicContact CG1-CG2 3.67Å; L82-V241 HydrophobicContact CD1-CG1 3.64Å; Y85-V241 HydrophobicContact CD1-CB 4.3Å; Y85-V241 HydrophobicContact CD1-CG1 3.87Å; Y85-V241 HydrophobicContact CD1-CG2 4.14Å; Y85-V241 HydrophobicContact CD2-CG2 3.82Å; Y85-V241 HydrophobicContact CE1-CG1 4.47Å; Y85-V241 HydrophobicContact CG-CB 4.24Å; Y85-V241 HydrophobicContact CG-CG1 4.13Å; Y85-V241 HydrophobicContact CG-CG2 3.58Å; Y237-V241 HydrophobicContact CD2-CG2 3.85Å; Y237-V241 HydrophobicContact CE2-CG2 3.79Å; Y237-V241 VanDerWaalsContact O-CG2 3.26Å; Y237-V241 WeakPolarHBondContact O-CG2 3.33Å; Y237-V241 PolarHBondContact O-N 3.43Å; T238-V241 PolarHBondContact O-N 3.45Å; Q239-V241 VanDerWaalsContact C-N 3.33Å; Q239-V241 PolarHBondContact O-N 3.08Å; V241-I243 PolarHBondContact O-N 3.48Å; V241-A244 PolarHBondContact O-N 3.12Å; V241-V245 HydrophobicContact CG1-CG2 4.47Å; V241-V245 WeakPolarHBondContact O-CG2 3.35Å; V241-V245 PolarHBondContact O-N 2.83Å; V241-L289 HydrophobicContact CG1-CD1 4.05Å
242T97Very high96.2Very high43 Ų4352.3 Ų52.326%0.26430%0.299SS..Hα-helixtrans-61.6-44.5177.5-57.30000111.8T238 Q239 A244 V245 Y246T238-T242 PolarHBondContact O-N 2.93Å; T238-T242 PolarHBondContact O-OG1 3.25Å; Q239-T242 PolarHBondContact O-N 3.15Å; T242-A244 VanDerWaalsContact C-N 3.34Å; T242-A244 PolarHBondContact O-N 3.28Å; T242-V245 PolarHBondContact O-N 3.31Å; T242-Y246 HydrophobicContact CG2-CD2 3.67Å; T242-Y246 HydrophobicContact CG2-CE2 3.68Å; T242-Y246 HydrophobicContact CG2-CG 4.2Å; T242-Y246 VanDerWaalsContact O-CB 3.3Å; T242-Y246 WeakPolarHBondContact O-CB 3.29Å; T242-Y246 PolarHBondContact O-N 3.23Å
243I95.9Very high96.4Very high122 Ų12249.2 Ų49.263%0.62628%0.283SS*.Hα-helixtrans-61.9-42.9175.9-70.5165.2000110.5Q239 T240 V241 G247Q239-I243 WeakPolarHBondContact O-CB 3.24Å; Q239-I243 WeakPolarHBondContact O-CD1 3.3Å; Q239-I243 WeakPolarHBondContact O-CG1 3.42Å; Q239-I243 PolarHBondContact O-N 3.11Å; T240-I243 PolarHBondContact O-N 3.4Å; V241-I243 PolarHBondContact O-N 3.48Å; I243-G247 VanDerWaalsContact O-CA 3.3Å; I243-G247 WeakPolarHBondContact O-CA 3.3Å; I243-G247 PolarHBondContact O-N 3.36Å
244A95.2Very high96.4Very high24 Ų2450.6 Ų50.620%0.19829%0.29CS..Hα-helixtrans-62.4-46.6178.500000111.7T240 V241 T242 Y248T240-A244 WeakPolarHBondContact O-CB 3.29Å; T240-A244 PolarHBondContact O-N 2.86Å; V241-A244 PolarHBondContact O-N 3.12Å; T242-A244 VanDerWaalsContact C-N 3.34Å; T242-A244 PolarHBondContact O-N 3.28Å; A244-Y248 WeakPolarHBondContact O-CB 3.39Å; A244-Y248 PolarHBondContact O-N 2.83Å
245V96.6Very high96.3Very high1 Ų147.4 Ų47.41%0.00627%0.27CS..Hα-helixtrans-69.7-49.5-179.7177.50000111.3V78 L82 V241 T242 Y248 F249 I286 L289V78-V245 HydrophobicContact CG1-CG2 3.85Å; L82-V245 HydrophobicContact CD1-CG2 3.92Å; L82-V245 HydrophobicContact CD2-CG2 4.46Å; V241-V245 HydrophobicContact CG1-CG2 4.47Å; V241-V245 WeakPolarHBondContact O-CG2 3.35Å; V241-V245 PolarHBondContact O-N 2.83Å; T242-V245 PolarHBondContact O-N 3.31Å; V245-Y248 WeakPolarHBondContact O-CB 3.24Å; V245-Y248 PolarHBondContact O-N 3.35Å; V245-F249 HydrophobicContact CG1-CD2 3.94Å; V245-F249 HydrophobicContact CG1-CE2 3.91Å; V245-F249 VanDerWaalsContact O-CD2 3.22Å; V245-F249 WeakPolarHBondContact O-CD2 3.32Å; V245-F249 PolarHBondContact O-N 2.8Å; V245-I286 HydrophobicContact CG1-CD1 3.72Å; V245-L289 HydrophobicContact CB-CD2 4.15Å; V245-L289 HydrophobicContact CG1-CD2 3.96Å; V245-L289 HydrophobicContact CG2-CD2 4.4Å
246Y96Very high96.2Very high103 Ų10343.5 Ų43.540%0.40425%0.247SC..Hα-helixtrans-72.3-35.6-178.2-71.3-1.9000112.3T242 Y248 F249 G250 I286 L289T242-Y246 HydrophobicContact CG2-CD2 3.67Å; T242-Y246 HydrophobicContact CG2-CE2 3.68Å; T242-Y246 HydrophobicContact CG2-CG 4.2Å; T242-Y246 VanDerWaalsContact O-CB 3.3Å; T242-Y246 WeakPolarHBondContact O-CB 3.29Å; T242-Y246 PolarHBondContact O-N 3.23Å; Y246-Y248 VanDerWaalsContact C-N 3.34Å; Y246-F249 PolarHBondContact O-N 2.87Å; Y246-G250 PolarHBondContact O-N 3.09Å; Y246-I286 HydrophobicContact CD1-CD1 4.17Å; Y246-I286 HydrophobicContact CE1-CD1 3.92Å; Y246-L289 HydrophobicContact CE1-CD2 3.91Å
247G94.5Very high96.1Very high42 Ų4239 Ų3943%0.43322%0.22SC..Hα-helixtrans-62.1-42.9171.600000111.6I243 G250 T251I243-G247 VanDerWaalsContact O-CA 3.3Å; I243-G247 WeakPolarHBondContact O-CA 3.3Å; I243-G247 PolarHBondContact O-N 3.36Å; G247-G250 PolarHBondContact O-N 3.3Å; G247-T251 PolarHBondContact O-N 3.31Å; G247-T251 VanDerWaalsContact O-N 3.11Å
248Y95.9Very high96Very high6 Ų637.8 Ų37.82%0.02422%0.215CC..Hα-helixtrans-55.6-53.7172.1172.8-98.2000111.5N73 V76 V78 A244 V245 Y246 G250 T251 C252 R281 Y285N73-Y248 VanDerWaalsContact CG-CE2 3.41Å; N73-Y248 PolarHBondContact ND2-O 3.15Å; N73-Y248 WeakPolarHBondContact O-CE2 3.24Å; N73-Y248 WeakPolarHBondContact OD1-CE2 3.27Å; N73-Y248 PolarHBondContact OD1-OH 2.8Å; V76-Y248 HydrophobicContact CB-CD2 4.1Å; V76-Y248 HydrophobicContact CG1-CD2 4.49Å; V76-Y248 HydrophobicContact CG2-CD2 4.48Å; V78-Y248 HydrophobicContact CG2-CD1 4.2Å; V78-Y248 HydrophobicContact CG2-CD2 3.65Å; V78-Y248 HydrophobicContact CG2-CE2 4.37Å; V78-Y248 HydrophobicContact CG2-CG 3.56Å; A244-Y248 WeakPolarHBondContact O-CB 3.39Å; A244-Y248 PolarHBondContact O-N 2.83Å; V245-Y248 WeakPolarHBondContact O-CB 3.24Å; V245-Y248 PolarHBondContact O-N 3.35Å; Y246-Y248 VanDerWaalsContact C-N 3.34Å; Y248-G250 VanDerWaalsContact C-N 3.33Å; Y248-G250 PolarHBondContact O-N 3.2Å; Y248-T251 PolarHBondContact O-N 3.23Å; Y248-T251 VanDerWaalsContact O-N 3.16Å; Y248-T251 PolarHBondContact O-OG1 2.57Å; Y248-C252 WeakPolarHBondContact CE1-SG 3.46Å; Y248-C252 VanDerWaalsContact CZ-SG 3.56Å; Y248-C252 PolarHBondContact O-N 3.4Å; Y248-C252 PolarHBondContact O-SG 3.31Å; Y248-R281 PolarHBondContact OH-NE 2.66Å; Y248-R281 PolarHBondContact OH-NH2 3.01Å; Y248-Y285 HydrophobicContact CE1-CD2 4.06Å; Y248-Y285 HydrophobicContact CE1-CE2 4.23Å
249F96.5Very high95.9Very high9 Ų936.4 Ų36.44%0.03921%0.207CC..Hα-helixtrans-67.7-30.1179-77-67000114.1F39 V245 Y246 T251 C252 L253 W256 F282 Y285 I286F39-F249 HydrophobicContact CD2-CB 4.48Å; F39-F249 HydrophobicContact CE2-CB 4.13Å; F39-F249 AromaticContact CE2-CD1 3.95Å; F39-F249 HydrophobicContact CE2-CD1 3.95Å; F39-F249 HydrophobicContact CE2-CG 4.47Å; F39-F249 HydrophobicContact CZ-CD1 4.36Å; V245-F249 HydrophobicContact CG1-CD2 3.94Å; V245-F249 HydrophobicContact CG1-CE2 3.91Å; V245-F249 VanDerWaalsContact O-CD2 3.22Å; V245-F249 WeakPolarHBondContact O-CD2 3.32Å; V245-F249 PolarHBondContact O-N 2.8Å; Y246-F249 PolarHBondContact O-N 2.87Å; F249-T251 VanDerWaalsContact C-N 3.28Å; F249-T251 PolarHBondContact O-N 3.21Å; F249-C252 HydrophobicContact CD1-CB 4.24Å; F249-C252 WeakPolarHBondContact O-CB 3.23Å; F249-C252 PolarHBondContact O-N 3.02Å; F249-C252 VanDerWaalsContact O-N 3.14Å; F249-L253 PolarHBondContact O-N 2.95Å; F249-L253 VanDerWaalsContact O-N 3.12Å; F249-W256 HydrophobicContact CD1-CH2 4.22Å; F249-W256 HydrophobicContact CD1-CZ3 4.48Å; F249-W256 AromaticContact CE1-CH2 3.81Å; F249-W256 HydrophobicContact CE1-CH2 3.81Å; F249-W256 HydrophobicContact CE1-CZ3 4.33Å; F249-F282 AromaticContact CD1-CD2 3.85Å; F249-F282 HydrophobicContact CD1-CD2 3.85Å; F249-F282 HydrophobicContact CE1-CB 3.88Å; F249-F282 AromaticContact CE1-CD2 3.75Å; F249-F282 HydrophobicContact CE1-CD2 3.75Å; F249-F282 HydrophobicContact CE1-CG 4.2Å; F249-F282 HydrophobicContact CG-CD2 4.39Å; F249-F282 HydrophobicContact CZ-CB 4.28Å; F249-F282 HydrophobicContact CZ-CD2 4.23Å; F249-Y285 HydrophobicContact CZ-CD2 4.12Å; F249-Y285 HydrophobicContact CZ-CG 4.44Å; F249-I286 HydrophobicContact CD2-CD1 3.58Å; F249-I286 HydrophobicContact CD2-CG1 3.86Å; F249-I286 HydrophobicContact CE2-CD1 3.61Å; F249-I286 HydrophobicContact CE2-CG1 3.48Å; F249-I286 VanDerWaalsContact CE2-CG1 3.48Å; F249-I286 HydrophobicContact CZ-CG1 4.01Å
250G95.5Very high95.7Very high38 Ų3834.6 Ų34.639%0.39220%0.2SC..Hα-helixtrans-57.8-42.7171.300000111.6Y246 G247 Y248Y246-G250 PolarHBondContact O-N 3.09Å; G247-G250 PolarHBondContact O-N 3.3Å; Y248-G250 VanDerWaalsContact C-N 3.33Å; Y248-G250 PolarHBondContact O-N 3.2Å
251T95.2Very high95.5Very high48 Ų4833.5 Ų33.529%0.29419%0.194SC..Hα-helixtrans-73.6-32.3173.666.50000113N73 G247 Y248 F249 L253 L254 A255N73-T251 PolarHBondContact ND2-OG1 3.41Å; G247-T251 PolarHBondContact O-N 3.31Å; G247-T251 VanDerWaalsContact O-N 3.11Å; Y248-T251 PolarHBondContact O-N 3.23Å; Y248-T251 VanDerWaalsContact O-N 3.16Å; Y248-T251 PolarHBondContact O-OG1 2.57Å; F249-T251 VanDerWaalsContact C-N 3.28Å; F249-T251 PolarHBondContact O-N 3.21Å; T251-L253 VanDerWaalsContact C-N 3.25Å; T251-L253 PolarHBondContact O-N 3.5Å; T251-L254 PolarHBondContact O-N 3.27Å; T251-A255 WeakPolarHBondContact O-CB 3.48Å; T251-A255 PolarHBondContact O-N 3.43Å
252C96.1Very high95.2Very high0 Ų037.6 Ų37.60%022%0.223CC..Hα-helixtrans-59-34.7175.6-67.70000112.9F39 N73 Y248 F249 L254 A255 W256F39-C252 HydrophobicContact CE2-CB 4.39Å; F39-C252 HydrophobicContact CZ-CB 4.21Å; N73-C252 PolarHBondContact ND2-SG 3.46Å; Y248-C252 WeakPolarHBondContact CE1-SG 3.46Å; Y248-C252 VanDerWaalsContact CZ-SG 3.56Å; Y248-C252 PolarHBondContact O-N 3.4Å; Y248-C252 PolarHBondContact O-SG 3.31Å; F249-C252 HydrophobicContact CD1-CB 4.24Å; F249-C252 WeakPolarHBondContact O-CB 3.23Å; F249-C252 PolarHBondContact O-N 3.02Å; F249-C252 VanDerWaalsContact O-N 3.14Å; C252-L254 PolarHBondContact O-N 3.18Å; C252-L254 VanDerWaalsContact O-N 3.15Å; C252-A255 PolarHBondContact O-N 3.38Å; C252-W256 HydrophobicContact CB-CD2 3.71Å; C252-W256 HydrophobicContact CB-CE3 3.83Å; C252-W256 HydrophobicContact CB-CG 4.37Å; C252-W256 HydrophobicContact CB-CH2 3.93Å; C252-W256 HydrophobicContact CB-CZ2 3.79Å; C252-W256 HydrophobicContact CB-CZ3 3.93Å; C252-W256 WeakPolarHBondContact O-CB 3.44Å; C252-W256 PolarHBondContact O-N 3.46Å; C252-W256 VanDerWaalsContact SG-CE2 3.57Å; C252-W256 WeakPolarHBondContact SG-CZ2 3.4Å
253L96.8Very high94.9Very high26 Ų2640.2 Ų40.214%0.13623%0.231CC..Hα-helixtrans-55.9-31.1178.4-75.7169.4000112.9F39 I42 L46 F249 T251 Q257F39-L253 HydrophobicContact CD2-CD2 3.73Å; F39-L253 HydrophobicContact CD2-CG 4.13Å; F39-L253 HydrophobicContact CE1-CD2 4.45Å; F39-L253 HydrophobicContact CE2-CD2 3.58Å; F39-L253 HydrophobicContact CE2-CG 3.72Å; F39-L253 HydrophobicContact CG-CD2 4.24Å; F39-L253 HydrophobicContact CZ-CD2 3.96Å; F39-L253 HydrophobicContact CZ-CG 4.35Å; I42-L253 HydrophobicContact CB-CD1 4.44Å; I42-L253 HydrophobicContact CB-CD2 4.09Å; I42-L253 HydrophobicContact CG2-CD1 3.81Å; I42-L253 HydrophobicContact CG2-CD2 3.99Å; I42-L253 HydrophobicContact CG2-CG 4.47Å; L46-L253 HydrophobicContact CD1-CB 4.01Å; F249-L253 PolarHBondContact O-N 2.95Å; F249-L253 VanDerWaalsContact O-N 3.12Å; T251-L253 VanDerWaalsContact C-N 3.25Å; T251-L253 PolarHBondContact O-N 3.5Å; L253-Q257 VanDerWaalsContact O-CG 3.31Å; L253-Q257 WeakPolarHBondContact O-CG 3.23Å; L253-Q257 PolarHBondContact O-NE2 3.25Å
254L96.3Very high94.7Very high36 Ų3642.6 Ų42.619%0.18824%0.236CC..Hα-helixtrans-93.9-48.4174.8-64.1170.1000111.1L46 F62 L65 C66 C69 T251 C252 W256 Q257L46-L254 HydrophobicContact CD1-CD2 4.3Å; F62-L254 HydrophobicContact CE2-CD2 3.96Å; F62-L254 HydrophobicContact CZ-CD2 4.38Å; L65-L254 HydrophobicContact CD2-CD1 3.94Å; L65-L254 HydrophobicContact CG-CD1 4.13Å; C66-L254 WeakPolarHBondContact CB-O 3.45Å; C66-L254 PolarHBondContact SG-O 2.88Å; C69-L254 HydrophobicContact CB-CB 4.13Å; T251-L254 PolarHBondContact O-N 3.27Å; C252-L254 PolarHBondContact O-N 3.18Å; C252-L254 VanDerWaalsContact O-N 3.15Å; L254-W256 PolarHBondContact O-N 3.2Å; L254-W256 VanDerWaalsContact O-N 3.14Å; L254-Q257 WeakPolarHBondContact O-CB 3.44Å; L254-Q257 WeakPolarHBondContact O-CG 3.35Å; L254-Q257 PolarHBondContact O-N 3.44Å; L254-Q257 VanDerWaalsContact O-N 3.09Å
255A94.6Very high94.4Very high12 Ų1243 Ų4310%0.09923%0.233CC..Hα-helixtrans-58.4-30.4-176.100000113.9C69 N73 T251 C252C69-A255 HydrophobicContact CB-CB 4.11Å; N73-A255 HydrophobicContact CB-CB 4.49Å; T251-A255 WeakPolarHBondContact O-CB 3.48Å; T251-A255 PolarHBondContact O-N 3.43Å; C252-A255 PolarHBondContact O-N 3.38Å
256W94.6Very high94Very high36 Ų3652 Ų5214%0.13628%0.275CS..THydrogen-bonded Turntrans-95.87.3-177.3-59.1-13.2000113.4F39 Y43 F249 C252 L254 Y258 P275 G278 R281F39-W256 HydrophobicContact CE1-CE3 4.13Å; F39-W256 AromaticContact CE1-CZ3 3.98Å; F39-W256 HydrophobicContact CE1-CZ3 3.98Å; F39-W256 AromaticContact CZ-CE3 3.79Å; F39-W256 HydrophobicContact CZ-CE3 3.79Å; F39-W256 AromaticContact CZ-CZ3 3.66Å; F39-W256 HydrophobicContact CZ-CZ3 3.66Å; Y43-W256 HydrophobicContact CE2-CB 4.08Å; Y43-W256 VanDerWaalsContact CE2-O 3.3Å; Y43-W256 WeakPolarHBondContact CE2-O 3.34Å; Y43-W256 PolarHBondContact OH-O 3.38Å; F249-W256 HydrophobicContact CD1-CH2 4.22Å; F249-W256 HydrophobicContact CD1-CZ3 4.48Å; F249-W256 AromaticContact CE1-CH2 3.81Å; F249-W256 HydrophobicContact CE1-CH2 3.81Å; F249-W256 HydrophobicContact CE1-CZ3 4.33Å; C252-W256 HydrophobicContact CB-CD2 3.71Å; C252-W256 HydrophobicContact CB-CE3 3.83Å; C252-W256 HydrophobicContact CB-CG 4.37Å; C252-W256 HydrophobicContact CB-CH2 3.93Å; C252-W256 HydrophobicContact CB-CZ2 3.79Å; C252-W256 HydrophobicContact CB-CZ3 3.93Å; C252-W256 WeakPolarHBondContact O-CB 3.44Å; C252-W256 PolarHBondContact O-N 3.46Å; C252-W256 VanDerWaalsContact SG-CE2 3.57Å; C252-W256 WeakPolarHBondContact SG-CZ2 3.4Å; L254-W256 PolarHBondContact O-N 3.2Å; L254-W256 VanDerWaalsContact O-N 3.14Å; W256-Y258 PolarHBondContact O-N 3.04Å; W256-P275 HydrophobicContact CB-CB 4.1Å; W256-G278 WeakPolarHBondContact CH2-O 3.22Å; W256-G278 VanDerWaalsContact CZ3-CA 3.4Å; W256-G278 WeakPolarHBondContact CZ3-O 3.21Å; W256-R281 HydrophobicContact CH2-CB 4.09Å; W256-R281 HydrophobicContact CZ2-CB 4.34Å
257Q95.9Very high93.5Very high2 Ų250.4 Ų50.41%0.00929%0.29CS..PPolyproline II helixtrans-68129.2175.5-68.8-68.4-2600109.8Y43 S47 F62 L253 L254 L259Y43-Q257 VanDerWaalsContact CD2-NE2 3.27Å; Y43-Q257 HydrophobicContact CE2-CG 4.34Å; Y43-Q257 PolarHBondContact O-NE2 2.89Å; Y43-Q257 VanDerWaalsContact O-NE2 3.15Å; S47-Q257 VanDerWaalsContact CA-OE1 3.23Å; S47-Q257 VanDerWaalsContact CB-OE1 3.27Å; F62-Q257 HydrophobicContact CE1-CB 4.1Å; F62-Q257 HydrophobicContact CE1-CG 4.14Å; F62-Q257 HydrophobicContact CZ-CB 4.35Å; F62-Q257 HydrophobicContact CZ-CG 3.87Å; L253-Q257 VanDerWaalsContact O-CG 3.31Å; L253-Q257 WeakPolarHBondContact O-CG 3.23Å; L253-Q257 PolarHBondContact O-NE2 3.25Å; L254-Q257 WeakPolarHBondContact O-CB 3.44Å; L254-Q257 WeakPolarHBondContact O-CG 3.35Å; L254-Q257 PolarHBondContact O-N 3.44Å; L254-Q257 VanDerWaalsContact O-N 3.09Å; Q257-L259 PolarHBondContact O-N 3.35Å
258Y95.2Very high93.3Very high44 Ų4450.3 Ų50.317%0.17328%0.278CS..PPolyproline II helixtrans-71.6122.1170.9-73.9-74.9000109.9Y50 W256 V270 D271 I272 P275Y50-Y258 WeakPolarHBondContact CE1-O 3.48Å; W256-Y258 PolarHBondContact O-N 3.04Å; Y258-V270 WeakPolarHBondContact CD1-O 3.22Å; Y258-V270 VanDerWaalsContact CE1-O 3.26Å; Y258-V270 WeakPolarHBondContact CE1-O 3.27Å; Y258-D271 WeakPolarHBondContact CB-OD1 3.37Å; Y258-I272 HydrophobicContact CE1-CB 4.34Å; Y258-I272 HydrophobicContact CE1-CG1 4.32Å; Y258-I272 HydrophobicContact CE2-CB 4.2Å; Y258-P275 HydrophobicContact CE2-CB 4.38Å
259L94.8Very high92.9Very high2 Ų255.1 Ų55.11%0.0130%0.304CS..PPolyproline II helixtrans-93.4163.9179.6-53.7-176.6000110.6E63 C66 I67 Q257 P261 Y265 H268E63-L259 HydrophobicContact CB-CD1 4.16Å; E63-L259 HydrophobicContact CB-CD2 4.42Å; E63-L259 HydrophobicContact CG-CB 4.4Å; E63-L259 HydrophobicContact CG-CD1 4.22Å; E63-L259 HydrophobicContact CG-CD2 3.94Å; E63-L259 HydrophobicContact CG-CG 4.41Å; C66-L259 HydrophobicContact CB-CD1 4.48Å; C66-L259 HydrophobicContact CB-CD2 4.05Å; I67-L259 HydrophobicContact CD1-CD1 4.14Å; I67-L259 HydrophobicContact CG1-CD1 3.93Å; Q257-L259 PolarHBondContact O-N 3.35Å; L259-P261 WeakPolarHBondContact O-CD 3.37Å; L259-P261 VanDerWaalsContact O-N 3.16Å; L259-Y265 HydrophobicContact CD1-CD2 4.27Å; L259-H268 HydrophobicContact CB-CB 4.36Å
260D93.3Very high92.6Very high59 Ų5959.2 Ų59.232%0.31633%0.33SS..  trans-59.3111.5178-179.7-5000111.3Y50 S262 K263Y50-D260 WeakPolarHBondContact OH-CB 3.47Å; Y50-D260 PolarHBondContact OH-N 3.48Å; D260-S262 PolarHBondContact O-N 3.38Å; D260-S262 VanDerWaalsContact O-N 3.11Å; D260-S262 VanDerWaalsContact OD1-CB 3.24Å; D260-S262 WeakPolarHBondContact OD1-CB 3.41Å; D260-S262 PolarHBondContact OD1-N 3.08Å; D260-S262 PolarHBondContact OD1-OG 2.75Å; D260-S262 PolarHBondContact OD2-OG 3.27Å; D260-K263 HydrophobicContact CB-CG 4.04Å; D260-K263 WeakPolarHBondContact O-CB 3.35Å; D260-K263 PolarHBondContact O-N 3.45Å
261P92.5Very high92.4Very high50 Ų5059.3 Ų59.333%0.32532%0.321SS..G310 helixtrans-61.4-23.6-178-2536.5000113.3L259 K263 K264 D271L259-P261 WeakPolarHBondContact O-CD 3.37Å; L259-P261 VanDerWaalsContact O-N 3.16Å; P261-K263 PolarHBondContact O-N 3.27Å; P261-K264 PolarHBondContact O-N 3.48Å; P261-K264 VanDerWaalsContact O-N 3.12Å; P261-D271 HydrophobicContact CG-CB 3.98Å
262S91.4Very high92.3Very high87 Ų8761.3 Ų61.361%0.60833%0.329SS*.G310 helixtrans-65.6-21.8178.575.70000112.9D260 K264D260-S262 PolarHBondContact O-N 3.38Å; D260-S262 VanDerWaalsContact O-N 3.11Å; D260-S262 VanDerWaalsContact OD1-CB 3.24Å; D260-S262 WeakPolarHBondContact OD1-CB 3.41Å; D260-S262 PolarHBondContact OD1-N 3.08Å; D260-S262 PolarHBondContact OD1-OG 2.75Å; D260-S262 PolarHBondContact OD2-OG 3.27Å; S262-K264 VanDerWaalsContact C-N 3.3Å
263K91Very high92Very high98 Ų9868.1 Ų68.143%0.42636%0.356SS..G310 helixtrans-76.2-15.7176.7-61.1-61.2-174.4-173.60113.5D260 P261 Y265D260-K263 HydrophobicContact CB-CG 4.04Å; D260-K263 WeakPolarHBondContact O-CB 3.35Å; D260-K263 PolarHBondContact O-N 3.45Å; P261-K263 PolarHBondContact O-N 3.27Å; K263-Y265 VanDerWaalsContact C-N 3.31Å; K263-Y265 HydrophobicContact CB-CD2 3.51Å; K263-Y265 HydrophobicContact CB-CE2 3.36Å; K263-Y265 HydrophobicContact CB-CG 4.43Å; K263-Y265 HydrophobicContact CG-CD2 4.39Å; K263-Y265 HydrophobicContact CG-CE2 3.86Å; K263-Y265 PolarHBondContact O-N 3.38Å
264K89.8Confident91.9Very high172 Ų17270.5 Ų70.575%0.74837%0.371SS*.  trans5246.3178.7-58-176178.7-175.90113.1P261 S262P261-K264 PolarHBondContact O-N 3.48Å; P261-K264 VanDerWaalsContact O-N 3.12Å; S262-K264 VanDerWaalsContact C-N 3.3Å
265Y90.3Very high91.8Very high33 Ų3369.1 Ų69.113%0.12936%0.364CS..  trans-71.6135.5169.6-69.1-69.8000109.5R60 E63 I67 L259 K263 G267 H268R60-Y265 VanDerWaalsContact CZ-OH 3.27Å; R60-Y265 PolarHBondContact NH1-OH 3.46Å; E63-Y265 HydrophobicContact CB-CE2 3.94Å; E63-Y265 HydrophobicContact CG-CE2 4.03Å; E63-Y265 WeakPolarHBondContact OE2-CE2 3.34Å; E63-Y265 PolarHBondContact OE2-OH 3.12Å; E63-Y265 VanDerWaalsContact OE2-OH 3.05Å; I67-Y265 HydrophobicContact CD1-CD1 3.48Å; I67-Y265 VanDerWaalsContact CD1-CD1 3.48Å; I67-Y265 HydrophobicContact CD1-CD2 4.39Å; I67-Y265 HydrophobicContact CD1-CE1 3.73Å; I67-Y265 HydrophobicContact CD1-CG 3.82Å; L259-Y265 HydrophobicContact CD1-CD2 4.27Å; K263-Y265 VanDerWaalsContact C-N 3.31Å; K263-Y265 HydrophobicContact CB-CD2 3.51Å; K263-Y265 HydrophobicContact CB-CE2 3.36Å; K263-Y265 HydrophobicContact CB-CG 4.43Å; K263-Y265 HydrophobicContact CG-CD2 4.39Å; K263-Y265 HydrophobicContact CG-CE2 3.86Å; K263-Y265 PolarHBondContact O-N 3.38Å; Y265-G267 PolarHBondContact O-N 2.9Å; Y265-H268 PolarHBondContact O-N 2.87Å
266E88.2Confident91.8Very high189 Ų18973.5 Ų73.588%0.88339%0.385SS*.THydrogen-bonded Turntrans-54.3128.3179-167.4177.217900110.6H268E266-H268 VanDerWaalsContact C-N 3.3Å; E266-H268 PolarHBondContact O-N 2.59Å; E266-H268 PolarHBondContact O-ND1 3.28Å
267G85.6Confident91.7Very high69 Ų6979.8 Ų79.871%0.71141%0.414SS*.THydrogen-bonded Turntrans78.31.4-178.300000116Y265Y265-G267 PolarHBondContact O-N 2.9Å
268H90.1Very high91.6Very high41 Ų4180.1 Ų80.119%0.1942%0.418CS..  trans-122.438.1-177.2-58.475.4000112.4L259 Y265 E266L259-H268 HydrophobicContact CB-CB 4.36Å; Y265-H268 PolarHBondContact O-N 2.87Å; E266-H268 VanDerWaalsContact C-N 3.3Å; E266-H268 PolarHBondContact O-N 2.59Å; E266-H268 PolarHBondContact O-ND1 3.28Å
269D87.7Confident91.6Very high106 Ų10679.2 Ų79.257%0.56742%0.416SS*.  trans-80.9-15.5-176.2-58.2-57.8000113.9
270V89.3Confident91.6Very high96 Ų9684.6 Ų84.658%0.58244%0.444SS*.  trans-126.7133.5-173.5-176.20000109.6Y258 I272Y258-V270 WeakPolarHBondContact CD1-O 3.22Å; Y258-V270 VanDerWaalsContact CE1-O 3.26Å; Y258-V270 WeakPolarHBondContact CE1-O 3.27Å; V270-I272 HydrophobicContact CG1-CD1 4.22Å; V270-I272 HydrophobicContact CG1-CG1 3.76Å
271D91.8Very high91.7Very high40 Ų4086.2 Ų86.221%0.21445%0.446CS..  trans-113.6106.5175.2-176.42.6000110.6R51 Y258 P261 Y273R51-D271 IonicContact CZ-OD1 3.82Å; R51-D271 IonicContact CZ-OD2 3.2Å; R51-D271 IonicContact NH1-OD1 3.96Å; R51-D271 IonicContact NH1-OD2 2.68Å; R51-D271 PolarHBondContact NH1-OD2 3.19Å; R51-D271 IonicContact NH2-OD1 2.78Å; R51-D271 PolarHBondContact NH2-OD1 3.46Å; R51-D271 IonicContact NH2-OD2 2.85Å; R51-D271 PolarHBondContact NH2-OD2 2.96Å; Y258-D271 WeakPolarHBondContact CB-OD1 3.37Å; P261-D271 HydrophobicContact CG-CB 3.98Å; D271-Y273 PolarHBondContact OD1-N 3.48Å
272I92.3Very high91.9Very high89 Ų8984.1 Ų84.146%0.45643%0.431SS..  trans-100-1.2179.5-49179.4000110.9Y258 V270 V274Y258-I272 HydrophobicContact CE1-CB 4.34Å; Y258-I272 HydrophobicContact CE1-CG1 4.32Å; Y258-I272 HydrophobicContact CE2-CB 4.2Å; V270-I272 HydrophobicContact CG1-CD1 4.22Å; V270-I272 HydrophobicContact CG1-CG1 3.76Å; I272-V274 PolarHBondContact O-N 3.05Å
273Y90.8Very high92.1Very high144 Ų14482.7 Ų82.757%0.56541%0.414SS*.SBendtrans62.7-41.2-172.4-57.5-96.8000115.5R51 D271R51-Y273 VanDerWaalsContact NH2-CD1 3.33Å; D271-Y273 PolarHBondContact OD1-N 3.48Å
274V94.1Very high92.3Very high75 Ų7583.5 Ų83.546%0.45542%0.418SS..SBendtrans-109.6122.3-176.9-178.10000109.7I272 I276 L279I272-V274 PolarHBondContact O-N 3.05Å; V274-I276 VanDerWaalsContact C-N 3.26Å; V274-I276 HydrophobicContact CG1-CG1 4.31Å; V274-I276 PolarHBondContact O-N 3.13Å; V274-L279 HydrophobicContact CG1-CD1 3.81Å
275P93.8Very high92.6Very high7 Ų776.9 Ų76.95%0.04539%0.388CS..  trans-8170.1-17633.7-36.5000110.6Y43 W256 Y258 F277 G278 L279Y43-P275 HydrophobicContact CD1-CG 4.38Å; Y43-P275 HydrophobicContact CD2-CG 4.3Å; Y43-P275 VanDerWaalsContact CE1-CD 3.46Å; Y43-P275 HydrophobicContact CE1-CG 3.89Å; Y43-P275 HydrophobicContact CE2-CB 4.48Å; Y43-P275 HydrophobicContact CE2-CG 3.78Å; W256-P275 HydrophobicContact CB-CB 4.1Å; Y258-P275 HydrophobicContact CE2-CB 4.38Å; P275-F277 PolarHBondContact O-N 3.4Å; P275-G278 CarbonylContact O-C 3.5Å; P275-G278 WeakPolarHBondContact O-CA 3.35Å; P275-G278 PolarHBondContact O-N 3.09Å; P275-L279 HydrophobicContact CG-CG 4.37Å; P275-L279 WeakPolarHBondContact O-CG 3.07Å; P275-L279 PolarHBondContact O-N 2.91Å
276I94.9Very high92.9Very high105 Ų10575.5 Ų75.554%0.53838%0.383SS..Hα-helixtrans-51.1-49.2-171.2-61.2171.9000112.4V274 G278 L279 L280V274-I276 VanDerWaalsContact C-N 3.26Å; V274-I276 HydrophobicContact CG1-CG1 4.31Å; V274-I276 PolarHBondContact O-N 3.13Å; I276-G278 VanDerWaalsContact C-N 3.33Å; I276-G278 PolarHBondContact O-N 3.37Å; I276-L279 PolarHBondContact O-N 2.78Å; I276-L280 PolarHBondContact O-N 3.4Å
277F92.5Very high93.3Very high168 Ų16866.8 Ų66.874%0.73734%0.344SS*.Hα-helixtrans-69.3-31178.6-64-70.9000112.9P275 L280 R281P275-F277 PolarHBondContact O-N 3.4Å; F277-L280 PolarHBondContact O-N 2.97Å; F277-R281 WeakPolarHBondContact O-CG 3.36Å; F277-R281 PolarHBondContact O-N 3.48Å
278G93.4Very high93.9Very high9 Ų967 Ų679%0.09332%0.323CS..Hα-helixtrans-64.2-45170.700000111.5W256 P275 I276 L280 R281 F282W256-G278 WeakPolarHBondContact CH2-O 3.22Å; W256-G278 VanDerWaalsContact CZ3-CA 3.4Å; W256-G278 WeakPolarHBondContact CZ3-O 3.21Å; P275-G278 CarbonylContact O-C 3.5Å; P275-G278 WeakPolarHBondContact O-CA 3.35Å; P275-G278 PolarHBondContact O-N 3.09Å; I276-G278 VanDerWaalsContact C-N 3.33Å; I276-G278 PolarHBondContact O-N 3.37Å; G278-L280 VanDerWaalsContact C-N 3.28Å; G278-L280 PolarHBondContact O-N 2.88Å; G278-R281 CarbonylContact O-C 3.04Å; G278-R281 WeakPolarHBondContact O-CA 3.4Å; G278-R281 WeakPolarHBondContact O-CB 3.41Å; G278-R281 PolarHBondContact O-N 3.14Å; G278-R281 VanDerWaalsContact O-N 3.1Å; G278-F282 PolarHBondContact O-N 2.91Å
279L96Very high94.2Very high25 Ų2565.4 Ų65.413%0.13132%0.317CS..Hα-helixtrans-63.4-34.2174.9-62.1-179.5000111.9F36 F39 V40 V274 P275 I276 F282 F283F36-L279 HydrophobicContact CE2-CB 4.31Å; F36-L279 HydrophobicContact CE2-CD1 4.33Å; F36-L279 HydrophobicContact CE2-CD2 3.93Å; F36-L279 HydrophobicContact CE2-CG 4.41Å; F36-L279 HydrophobicContact CZ-CD1 4.33Å; F39-L279 HydrophobicContact CD1-CD2 4.14Å; F39-L279 HydrophobicContact CE1-CD2 4.11Å; V40-L279 HydrophobicContact CG2-CD2 3.93Å; V274-L279 HydrophobicContact CG1-CD1 3.81Å; P275-L279 HydrophobicContact CG-CG 4.37Å; P275-L279 WeakPolarHBondContact O-CG 3.07Å; P275-L279 PolarHBondContact O-N 2.91Å; I276-L279 PolarHBondContact O-N 2.78Å; L279-F282 VanDerWaalsContact O-CB 3.27Å; L279-F282 WeakPolarHBondContact O-CB 3.21Å; L279-F282 PolarHBondContact O-N 3.06Å; L279-F283 VanDerWaalsContact O-CD2 3.27Å; L279-F283 WeakPolarHBondContact O-CD2 3.34Å; L279-F283 PolarHBondContact O-N 3.4Å
280L95.5Very high94.6Very high115 Ų11561 Ų6160%0.60229%0.292SS*.Hα-helixtrans-64.6-43171.7-172.166.4000111.8I276 F277 G278 F282 F283 F284I276-L280 PolarHBondContact O-N 3.4Å; F277-L280 PolarHBondContact O-N 2.97Å; G278-L280 VanDerWaalsContact C-N 3.28Å; G278-L280 PolarHBondContact O-N 2.88Å; L280-F282 PolarHBondContact O-N 3.19Å; L280-F283 PolarHBondContact O-N 2.95Å; L280-F284 PolarHBondContact O-N 3.48Å
281R94.3Very high95Very high93 Ų9359.2 Ų59.235%0.35128%0.281SS..Hα-helixtrans-61.6-33.9172.4-70.2175.775.9164.47.3111.8Y248 W256 F277 G278 F284 Y285Y248-R281 PolarHBondContact OH-NE 2.66Å; Y248-R281 PolarHBondContact OH-NH2 3.01Å; W256-R281 HydrophobicContact CH2-CB 4.09Å; W256-R281 HydrophobicContact CZ2-CB 4.34Å; F277-R281 WeakPolarHBondContact O-CG 3.36Å; F277-R281 PolarHBondContact O-N 3.48Å; G278-R281 CarbonylContact O-C 3.04Å; G278-R281 WeakPolarHBondContact O-CA 3.4Å; G278-R281 WeakPolarHBondContact O-CB 3.41Å; G278-R281 PolarHBondContact O-N 3.14Å; G278-R281 VanDerWaalsContact O-N 3.1Å; R281-F284 PolarHBondContact O-N 2.93Å; R281-Y285 WeakPolarHBondContact O-CD2 3.33Å; R281-Y285 PolarHBondContact O-N 3.16Å
282F96.6Very high95.2Very high5 Ų557.3 Ų57.32%0.02227%0.271CS..Hα-helixtrans-58.6-54.5172.6-177.1-80.9000111.3E35 F36 F39 F249 G278 L279 L280 F284 Y285 I286E35-F282 HydrophobicContact CB-CZ 4Å; F36-F282 HydrophobicContact CB-CD1 4.5Å; F36-F282 HydrophobicContact CB-CE1 3.78Å; F36-F282 HydrophobicContact CB-CZ 4.32Å; F36-F282 AromaticContact CD2-CD1 3.91Å; F36-F282 HydrophobicContact CD2-CD1 3.91Å; F36-F282 HydrophobicContact CD2-CE1 4.03Å; F36-F282 HydrophobicContact CG-CE1 4.43Å; F39-F282 HydrophobicContact CB-CD2 4.19Å; F39-F282 HydrophobicContact CB-CE2 3.58Å; F39-F282 HydrophobicContact CB-CZ 4.14Å; F39-F282 HydrophobicContact CD1-CD2 4.03Å; F39-F282 HydrophobicContact CD1-CE2 4.29Å; F39-F282 AromaticContact CD2-CD2 3.98Å; F39-F282 HydrophobicContact CD2-CD2 3.98Å; F39-F282 AromaticContact CD2-CE2 3.87Å; F39-F282 HydrophobicContact CD2-CE2 3.87Å; F39-F282 HydrophobicContact CE1-CD2 4.45Å; F39-F282 HydrophobicContact CE2-CD2 4.4Å; F39-F282 AromaticContact CG-CD2 3.79Å; F39-F282 HydrophobicContact CG-CD2 3.79Å; F39-F282 AromaticContact CG-CE2 3.65Å; F39-F282 HydrophobicContact CG-CE2 3.65Å; F249-F282 AromaticContact CD1-CD2 3.85Å; F249-F282 HydrophobicContact CD1-CD2 3.85Å; F249-F282 HydrophobicContact CE1-CB 3.88Å; F249-F282 AromaticContact CE1-CD2 3.75Å; F249-F282 HydrophobicContact CE1-CD2 3.75Å; F249-F282 HydrophobicContact CE1-CG 4.2Å; F249-F282 HydrophobicContact CG-CD2 4.39Å; F249-F282 HydrophobicContact CZ-CB 4.28Å; F249-F282 HydrophobicContact CZ-CD2 4.23Å; G278-F282 PolarHBondContact O-N 2.91Å; L279-F282 VanDerWaalsContact O-CB 3.27Å; L279-F282 WeakPolarHBondContact O-CB 3.21Å; L279-F282 PolarHBondContact O-N 3.06Å; L280-F282 PolarHBondContact O-N 3.19Å; F282-F284 PolarHBondContact O-N 3.44Å; F282-Y285 PolarHBondContact O-N 3.28Å; F282-I286 HydrophobicContact CD1-CB 4.31Å; F282-I286 HydrophobicContact CD1-CG1 4.25Å; F282-I286 HydrophobicContact CD2-CG1 3.92Å; F282-I286 HydrophobicContact CE1-CB 4.02Å; F282-I286 HydrophobicContact CE1-CG1 4Å; F282-I286 HydrophobicContact CE1-CG2 4.13Å; F282-I286 HydrophobicContact CE2-CD1 4.47Å; F282-I286 HydrophobicContact CE2-CG1 3.67Å; F282-I286 HydrophobicContact CG-CG1 4.21Å; F282-I286 HydrophobicContact CZ-CB 4.16Å; F282-I286 HydrophobicContact CZ-CG1 3.71Å; F282-I286 HydrophobicContact CZ-CG2 4.16Å; F282-I286 WeakPolarHBondContact O-CB 3.39Å; F282-I286 PolarHBondContact O-N 3.1Å
283F96.2Very high95.4Very high58 Ų5857.8 Ų57.825%0.25427%0.271SS..Hα-helixtrans-57.8-36.9176.7-81.1-73.6000112.4Y29 V32 F36 L279 L280 G287Y29-F283 HydrophobicContact CD1-CE1 4.04Å; V32-F283 HydrophobicContact CG2-CD1 3.67Å; V32-F283 HydrophobicContact CG2-CE1 3.42Å; V32-F283 VanDerWaalsContact CG2-CE1 3.42Å; F36-F283 AromaticContact CD2-CE2 3.9Å; F36-F283 HydrophobicContact CD2-CE2 3.9Å; F36-F283 AromaticContact CD2-CZ 3.91Å; F36-F283 HydrophobicContact CD2-CZ 3.91Å; F36-F283 AromaticContact CE2-CE2 3.65Å; F36-F283 HydrophobicContact CE2-CE2 3.65Å; F36-F283 HydrophobicContact CE2-CZ 4.01Å; F36-F283 HydrophobicContact CG-CZ 4.29Å; F36-F283 HydrophobicContact CZ-CE2 4.29Å; F36-F283 HydrophobicContact CZ-CZ 4.49Å; L279-F283 VanDerWaalsContact O-CD2 3.27Å; L279-F283 WeakPolarHBondContact O-CD2 3.34Å; L279-F283 PolarHBondContact O-N 3.4Å; L280-F283 PolarHBondContact O-N 2.95Å; F283-G287 WeakPolarHBondContact O-CA 3.46Å; F283-G287 PolarHBondContact O-N 3.15Å
284F94.8Very high95.5Very high114 Ų11451.8 Ų51.850%0.525%0.251SS..Hα-helixtrans-65.2-57.6177.6-177.5-110.7000112.5L280 R281 F282 W288L280-F284 PolarHBondContact O-N 3.48Å; R281-F284 PolarHBondContact O-N 2.93Å; F282-F284 PolarHBondContact O-N 3.44Å; F284-W288 HydrophobicContact CE1-CE3 4.05Å; F284-W288 HydrophobicContact CE1-CZ3 4.22Å; F284-W288 AromaticContact CZ-CE3 3.92Å; F284-W288 HydrophobicContact CZ-CE3 3.92Å; F284-W288 HydrophobicContact CZ-CZ3 4.05Å; F284-W288 WeakPolarHBondContact O-CB 3.43Å; F284-W288 PolarHBondContact O-N 3.42Å
285Y96Very high95.6Very high33 Ų3349.3 Ų49.313%0.12924%0.235CC..Hα-helixtrans-78.7-41.5-174-65.9-65.7000113.6V78 A79 L82 Y248 F249 R281 F282 W288 L289V78-Y285 HydrophobicContact CB-CD1 4.25Å; V78-Y285 HydrophobicContact CB-CE1 4.08Å; V78-Y285 HydrophobicContact CG1-CD1 3.68Å; V78-Y285 HydrophobicContact CG1-CE1 4.03Å; V78-Y285 HydrophobicContact CG1-CG 4.15Å; A79-Y285 HydrophobicContact CB-CE1 4Å; L82-Y285 HydrophobicContact CD2-CD1 4.21Å; L82-Y285 WeakPolarHBondContact CD2-O 3.16Å; Y248-Y285 HydrophobicContact CE1-CD2 4.06Å; Y248-Y285 HydrophobicContact CE1-CE2 4.23Å; F249-Y285 HydrophobicContact CZ-CD2 4.12Å; F249-Y285 HydrophobicContact CZ-CG 4.44Å; R281-Y285 WeakPolarHBondContact O-CD2 3.33Å; R281-Y285 PolarHBondContact O-N 3.16Å; F282-Y285 PolarHBondContact O-N 3.28Å; Y285-W288 PolarHBondContact O-N 2.91Å; Y285-L289 WeakPolarHBondContact O-CB 3.45Å; Y285-L289 PolarHBondContact O-N 3.31Å
286I97.4Very high95.7Very high4 Ų451.2 Ų51.22%0.02124%0.244CC..Hα-helixtrans-69.9-41.5176.3-63.3-65.8000109.8V32 V245 Y246 F249 F282 W288 L289 K290V32-I286 HydrophobicContact CB-CG2 4.21Å; V32-I286 HydrophobicContact CG1-CG2 3.79Å; V245-I286 HydrophobicContact CG1-CD1 3.72Å; Y246-I286 HydrophobicContact CD1-CD1 4.17Å; Y246-I286 HydrophobicContact CE1-CD1 3.92Å; F249-I286 HydrophobicContact CD2-CD1 3.58Å; F249-I286 HydrophobicContact CD2-CG1 3.86Å; F249-I286 HydrophobicContact CE2-CD1 3.61Å; F249-I286 HydrophobicContact CE2-CG1 3.48Å; F249-I286 VanDerWaalsContact CE2-CG1 3.48Å; F249-I286 HydrophobicContact CZ-CG1 4.01Å; F282-I286 HydrophobicContact CD1-CB 4.31Å; F282-I286 HydrophobicContact CD1-CG1 4.25Å; F282-I286 HydrophobicContact CD2-CG1 3.92Å; F282-I286 HydrophobicContact CE1-CB 4.02Å; F282-I286 HydrophobicContact CE1-CG1 4Å; F282-I286 HydrophobicContact CE1-CG2 4.13Å; F282-I286 HydrophobicContact CE2-CD1 4.47Å; F282-I286 HydrophobicContact CE2-CG1 3.67Å; F282-I286 HydrophobicContact CG-CG1 4.21Å; F282-I286 HydrophobicContact CZ-CB 4.16Å; F282-I286 HydrophobicContact CZ-CG1 3.71Å; F282-I286 HydrophobicContact CZ-CG2 4.16Å; F282-I286 WeakPolarHBondContact O-CB 3.39Å; F282-I286 PolarHBondContact O-N 3.1Å; I286-W288 VanDerWaalsContact C-N 3.3Å; I286-W288 PolarHBondContact O-N 2.88Å; I286-L289 PolarHBondContact O-N 2.9Å; I286-K290 HydrophobicContact CG2-CG 4.41Å; I286-K290 WeakPolarHBondContact O-CB 3.41Å; I286-K290 WeakPolarHBondContact O-CG 3.21Å; I286-K290 PolarHBondContact O-N 3.2Å
287G96.8Very high95.8Very high6 Ų649.6 Ų49.66%0.06224%0.237CC..Hα-helixtrans-59.9-41.8174.400000112.1F283 K290 V291F283-G287 WeakPolarHBondContact O-CA 3.46Å; F283-G287 PolarHBondContact O-N 3.15Å; G287-K290 WeakPolarHBondContact O-CB 3.35Å; G287-K290 PolarHBondContact O-N 2.96Å; G287-V291 WeakPolarHBondContact O-CG2 3.32Å; G287-V291 PolarHBondContact O-N 3.21Å
288W97.1Very high95.9Very high73 Ų7341.6 Ų41.628%0.27720%0.202SC..Hα-helixtrans-70.1-34.1178-166.120.2000112.8A79 L82 G83 V86 F284 Y285 I286 V291A79-W288 HydrophobicContact CB-CZ3 4.33Å; L82-W288 HydrophobicContact CB-CE3 4.18Å; L82-W288 HydrophobicContact CB-CZ3 4.27Å; L82-W288 HydrophobicContact CD2-CB 3.71Å; L82-W288 HydrophobicContact CD2-CD2 3.77Å; L82-W288 HydrophobicContact CD2-CE3 3.57Å; L82-W288 HydrophobicContact CD2-CG 3.85Å; L82-W288 HydrophobicContact CD2-CZ3 4.41Å; L82-W288 HydrophobicContact CG-CB 4.47Å; L82-W288 HydrophobicContact CG-CD2 3.98Å; L82-W288 HydrophobicContact CG-CE3 4.01Å; L82-W288 HydrophobicContact CG-CG 4.18Å; G83-W288 VanDerWaalsContact CA-CZ2 3.44Å; V86-W288 HydrophobicContact CG2-CG 4.32Å; V86-W288 WeakPolarHBondContact CG2-O 3.38Å; F284-W288 HydrophobicContact CE1-CE3 4.05Å; F284-W288 HydrophobicContact CE1-CZ3 4.22Å; F284-W288 AromaticContact CZ-CE3 3.92Å; F284-W288 HydrophobicContact CZ-CE3 3.92Å; F284-W288 HydrophobicContact CZ-CZ3 4.05Å; F284-W288 WeakPolarHBondContact O-CB 3.43Å; F284-W288 PolarHBondContact O-N 3.42Å; Y285-W288 PolarHBondContact O-N 2.91Å; I286-W288 VanDerWaalsContact C-N 3.3Å; I286-W288 PolarHBondContact O-N 2.88Å; W288-V291 WeakPolarHBondContact O-CB 3.27Å; W288-V291 PolarHBondContact O-N 2.86Å
289L97.6Very high96.1Very high9 Ų941.3 Ų41.35%0.04720%0.198CC..Hα-helixtrans-63.4-42.2168.1-179.163.1000111.5L82 V241 V245 Y246 Y285 I286 V291 A292 E293L82-L289 HydrophobicContact CD1-CB 4.04Å; L82-L289 HydrophobicContact CD1-CD1 3.91Å; V241-L289 HydrophobicContact CG1-CD1 4.05Å; V245-L289 HydrophobicContact CB-CD2 4.15Å; V245-L289 HydrophobicContact CG1-CD2 3.96Å; V245-L289 HydrophobicContact CG2-CD2 4.4Å; Y246-L289 HydrophobicContact CE1-CD2 3.91Å; Y285-L289 WeakPolarHBondContact O-CB 3.45Å; Y285-L289 PolarHBondContact O-N 3.31Å; I286-L289 PolarHBondContact O-N 2.9Å; L289-V291 VanDerWaalsContact C-N 3.25Å; L289-V291 PolarHBondContact O-N 2.86Å; L289-A292 WeakPolarHBondContact O-CB 3.43Å; L289-A292 PolarHBondContact O-N 3.43Å; L289-E293 PolarHBondContact O-N 3.34Å
290K96.4Very high96Very high14 Ų1440.8 Ų40.86%0.06120%0.199CC..Hα-helixtrans-62.6-29.9177-74.7-53.9-172.7-177.30113.2L31 V32 E35 I286 G287 A292 E293 S294L31-K290 HydrophobicContact CB-CB 3.99Å; L31-K290 HydrophobicContact CB-CD 4.44Å; L31-K290 HydrophobicContact CB-CG 4Å; L31-K290 HydrophobicContact CD1-CB 4.21Å; L31-K290 VanDerWaalsContact O-CE 3.29Å; L31-K290 WeakPolarHBondContact O-CE 3.43Å; V32-K290 HydrophobicContact CG1-CB 4.39Å; V32-K290 HydrophobicContact CG1-CG 3.73Å; E35-K290 WeakPolarHBondContact OE1-CE 3.2Å; E35-K290 IonicContact OE1-NZ 3.86Å; E35-K290 PolarHBondContact OE1-NZ 2.67Å; I286-K290 HydrophobicContact CG2-CG 4.41Å; I286-K290 WeakPolarHBondContact O-CB 3.41Å; I286-K290 WeakPolarHBondContact O-CG 3.21Å; I286-K290 PolarHBondContact O-N 3.2Å; G287-K290 WeakPolarHBondContact O-CB 3.35Å; G287-K290 PolarHBondContact O-N 2.96Å; K290-A292 VanDerWaalsContact C-N 3.32Å; K290-A292 PolarHBondContact O-N 3.31Å; K290-E293 HydrophobicContact CD-CB 4.31Å; K290-E293 WeakPolarHBondContact CD-OE2 3.46Å; K290-E293 WeakPolarHBondContact CE-OE2 3.45Å; K290-E293 IonicContact NZ-OE1 3.21Å; K290-E293 PolarHBondContact NZ-OE1 2.76Å; K290-E293 IonicContact NZ-OE2 3.33Å; K290-E293 PolarHBondContact NZ-OE2 2.67Å; K290-E293 PolarHBondContact O-N 2.98Å; K290-S294 WeakPolarHBondContact O-CB 3.32Å; K290-S294 PolarHBondContact O-N 3.13Å; K290-S294 PolarHBondContact O-OG 3.01Å
291V96Very high95.8Very high57 Ų5740.9 Ų40.935%0.34520%0.196SC..Hα-helixtrans-59.9-42.9170.4173.50000111.1V86 G287 W288 L289 S294 L295V86-V291 HydrophobicContact CG1-CG1 4.08Å; G287-V291 WeakPolarHBondContact O-CG2 3.32Å; G287-V291 PolarHBondContact O-N 3.21Å; W288-V291 WeakPolarHBondContact O-CB 3.27Å; W288-V291 PolarHBondContact O-N 2.86Å; L289-V291 VanDerWaalsContact C-N 3.25Å; L289-V291 PolarHBondContact O-N 2.86Å; V291-S294 PolarHBondContact O-OG 3.16Å; V291-L295 HydrophobicContact CG1-CD1 3.89Å; V291-L295 WeakPolarHBondContact O-CB 3.26Å; V291-L295 WeakPolarHBondContact O-CD1 3.45Å; V291-L295 WeakPolarHBondContact O-CG 3.4Å; V291-L295 PolarHBondContact O-N 3.44Å
292A96.9Very high95.7Very high1 Ų140.1 Ų40.11%0.00820%0.199CC..Hα-helixtrans-68.3-42.9174.600000111.5Y85 V86 I89 L289 K290 S294 L295 I296Y85-A292 HydrophobicContact CD1-CB 3.84Å; Y85-A292 HydrophobicContact CE1-CB 3.53Å; V86-A292 HydrophobicContact CG2-CB 3.97Å; I89-A292 HydrophobicContact CB-CB 4.34Å; I89-A292 HydrophobicContact CG1-CB 4.04Å; I89-A292 HydrophobicContact CG2-CB 4.48Å; L289-A292 WeakPolarHBondContact O-CB 3.43Å; L289-A292 PolarHBondContact O-N 3.43Å; K290-A292 VanDerWaalsContact C-N 3.32Å; K290-A292 PolarHBondContact O-N 3.31Å; A292-S294 VanDerWaalsContact C-N 3.35Å; A292-S294 PolarHBondContact O-N 3.46Å; A292-L295 PolarHBondContact O-N 2.98Å; A292-I296 WeakPolarHBondContact O-CB 3.16Å; A292-I296 PolarHBondContact O-N 2.94Å
293E95.9Very high95.4Very high98 Ų9841.3 Ų41.346%0.45821%0.206SC..Hα-helixtrans-58.4-43.8179.7-166.3179.3137.300112.2L289 K290 L295 I296L289-E293 PolarHBondContact O-N 3.34Å; K290-E293 HydrophobicContact CD-CB 4.31Å; K290-E293 WeakPolarHBondContact CD-OE2 3.46Å; K290-E293 WeakPolarHBondContact CE-OE2 3.45Å; K290-E293 IonicContact NZ-OE1 3.21Å; K290-E293 PolarHBondContact NZ-OE1 2.76Å; K290-E293 IonicContact NZ-OE2 3.33Å; K290-E293 PolarHBondContact NZ-OE2 2.67Å; K290-E293 PolarHBondContact O-N 2.98Å; E293-L295 VanDerWaalsContact C-N 3.29Å; E293-L295 PolarHBondContact O-N 3.32Å; E293-I296 VanDerWaalsContact O-CG2 3.31Å; E293-I296 WeakPolarHBondContact O-CG2 3.42Å
294S94.3Very high95.1Very high19 Ų1939.9 Ų39.913%0.13320%0.201CC..THydrogen-bonded Turntrans-75.6-13.5-179.866.80000114.4K290 V291 A292K290-S294 WeakPolarHBondContact O-CB 3.32Å; K290-S294 PolarHBondContact O-N 3.13Å; K290-S294 PolarHBondContact O-OG 3.01Å; V291-S294 PolarHBondContact O-OG 3.16Å; A292-S294 VanDerWaalsContact C-N 3.35Å; A292-S294 PolarHBondContact O-N 3.46Å
295L95.7Very high95.1Very high22 Ų2234.5 Ų34.512%0.11518%0.178CC..THydrogen-bonded Turntrans-112.1-9.3-176-61.6179.6000112.8I89 V90 W93 V291 A292 E293 N297I89-L295 HydrophobicContact CG2-CB 3.8Å; V90-L295 HydrophobicContact CG2-CD1 3.95Å; W93-L295 HydrophobicContact CB-CB 4.31Å; W93-L295 HydrophobicContact CD2-CD2 4.37Å; W93-L295 HydrophobicContact CG-CB 4.3Å; W93-L295 HydrophobicContact CG-CD2 4.14Å; V291-L295 HydrophobicContact CG1-CD1 3.89Å; V291-L295 WeakPolarHBondContact O-CB 3.26Å; V291-L295 WeakPolarHBondContact O-CD1 3.45Å; V291-L295 WeakPolarHBondContact O-CG 3.4Å; V291-L295 PolarHBondContact O-N 3.44Å; A292-L295 PolarHBondContact O-N 2.98Å; E293-L295 VanDerWaalsContact C-N 3.29Å; E293-L295 PolarHBondContact O-N 3.32Å; L295-N297 VanDerWaalsContact C-N 3.27Å; L295-N297 PolarHBondContact O-N 3.14Å
296I96.3Very high95.1Very high48 Ų4833.2 Ų33.225%0.24617%0.173CC..SBendtrans-63-36-176.3-161.9168.6000112I89 P233 A292 E293I89-I296 HydrophobicContact CD1-CD1 4.49Å; I89-I296 HydrophobicContact CD1-CG1 4.17Å; I89-I296 HydrophobicContact CG2-CB 4.47Å; P233-I296 HydrophobicContact CG-CD1 4.42Å; P233-I296 HydrophobicContact CG-CG1 4.29Å; A292-I296 WeakPolarHBondContact O-CB 3.16Å; A292-I296 PolarHBondContact O-N 2.94Å; E293-I296 VanDerWaalsContact O-CG2 3.31Å; E293-I296 WeakPolarHBondContact O-CG2 3.42Å
297N95.7Very high94.9Very high71 Ų7136.8 Ų36.838%0.3819%0.189SC..  trans-131.289.4174.4-177.92.8000110.4L295 F299 G300L295-N297 VanDerWaalsContact C-N 3.27Å; L295-N297 PolarHBondContact O-N 3.14Å; N297-F299 PolarHBondContact O-N 2.67Å; N297-F299 VanDerWaalsContact O-N 3.12Å; N297-F299 PolarHBondContact OD1-N 3.35Å; N297-G300 PolarHBondContact O-N 2.9Å
298P96.3Very high94.9Very high0 Ų036.5 Ų36.50%019%0.186CC..THydrogen-bonded Turntrans-76.35.3-177.131.9-35.1000114.9D305 F306P298-D305 WeakPolarHBondContact CA-OD1 3.32Å; P298-D305 WeakPolarHBondContact O-CB 3.36Å; P298-F306 HydrophobicContact CB-CD1 4.38Å; P298-F306 HydrophobicContact CB-CD2 3.76Å; P298-F306 HydrophobicContact CB-CE1 4.1Å; P298-F306 HydrophobicContact CB-CE2 3.45Å; P298-F306 VanDerWaalsContact CB-CE2 3.45Å; P298-F306 HydrophobicContact CB-CG 4.21Å; P298-F306 HydrophobicContact CB-CZ 3.61Å; P298-F306 HydrophobicContact CG-CD2 4.05Å; P298-F306 HydrophobicContact CG-CE2 3.44Å; P298-F306 VanDerWaalsContact CG-CE2 3.44Å; P298-F306 HydrophobicContact CG-CZ 3.85Å; P298-F306 PolarHBondContact O-N 3Å
299F96.2Very high94.7Very high3 Ų336.6 Ų36.61%0.01319%0.19CC..THydrogen-bonded Turntrans-102.510.9177.2-65-80.4000112.5Q96 L100 L140 I143 S144 S145 I225 N297 F306 I308Q96-F299 HydrophobicContact CB-CE2 4.34Å; L100-F299 HydrophobicContact CD2-CE1 4.03Å; L100-F299 HydrophobicContact CD2-CZ 4.34Å; L140-F299 HydrophobicContact CD2-CE1 4.32Å; I143-F299 HydrophobicContact CD1-CD1 4.04Å; I143-F299 HydrophobicContact CD1-CD2 4.5Å; I143-F299 HydrophobicContact CD1-CE1 3.88Å; I143-F299 HydrophobicContact CD1-CE2 4.36Å; I143-F299 HydrophobicContact CD1-CG 4.36Å; I143-F299 HydrophobicContact CD1-CZ 4.06Å; I143-F299 HydrophobicContact CG1-CD1 4.39Å; S144-F299 WeakPolarHBondContact CA-O 3.39Å; S144-F299 PolarHBondContact OG-O 3.41Å; S145-F299 PolarHBondContact N-O 2.97Å; S145-F299 VanDerWaalsContact N-O 3.15Å; S145-F299 PolarHBondContact OG-O 2.82Å; S145-F299 VanDerWaalsContact OG-O 3.13Å; I225-F299 HydrophobicContact CG2-CE1 4.27Å; I225-F299 HydrophobicContact CG2-CE2 3.65Å; I225-F299 HydrophobicContact CG2-CZ 3.43Å; I225-F299 VanDerWaalsContact CG2-CZ 3.43Å; N297-F299 PolarHBondContact O-N 2.67Å; N297-F299 VanDerWaalsContact O-N 3.12Å; N297-F299 PolarHBondContact OD1-N 3.35Å; F299-F306 HydrophobicContact CD1-CD2 4.48Å; F299-F306 HydrophobicContact CE1-CD2 4.08Å; F299-F306 HydrophobicContact CE2-CD2 4.49Å; F299-F306 HydrophobicContact CE2-CE2 4.47Å; F299-F306 HydrophobicContact CZ-CD2 4.07Å; F299-F306 HydrophobicContact CZ-CE2 4.29Å; F299-I308 HydrophobicContact CD1-CD1 3.64Å; F299-I308 HydrophobicContact CD1-CG1 3.94Å; F299-I308 HydrophobicContact CE1-CD1 3.64Å; F299-I308 HydrophobicContact CE1-CG1 4.44Å
300G93.5Very high94.5Very high14 Ų1442.8 Ų42.814%0.14421%0.214CC..SBendtrans-75.3-149.3175.400000113.4S145 N297 D305S145-G300 WeakPolarHBondContact OG-CA 3.46Å; S145-G300 PolarHBondContact OG-O 3.5Å; N297-G300 PolarHBondContact O-N 2.9Å; G300-D305 WeakPolarHBondContact CA-OD2 3.36Å; G300-D305 PolarHBondContact N-OD2 2.7Å
301E92.2Very high94.5Very high117 Ų11742.7 Ų42.755%0.54721%0.214SC..SBendtrans-119.47.2-178.7-56.4-177.6-145.900112.6S145 R146 D305S145-E301 VanDerWaalsContact OG-CG 3.23Å; S145-E301 WeakPolarHBondContact OG-CG 3.37Å; R146-E301 HydrophobicContact CG-CG 4.04Å; R146-E301 PolarHBondContact NH2-O 3.28Å; E301-D305 PolarHBondContact N-OD2 3.38Å
302D91.8Very high94.5Very high76 Ų7640.3 Ų40.341%0.40620%0.199SC..SBendtrans-62.1159.1179.1-75.1-30.7000111.3R146 D304 D305R146-D302 PolarHBondContact NH2-O 3.32Å; D302-D304 PolarHBondContact O-N 2.83Å; D302-D305 HydrophobicContact CB-CB 4.43Å; D302-D305 WeakPolarHBondContact CB-OD2 3.35Å; D302-D305 PolarHBondContact N-OD2 3.35Å; D302-D305 WeakPolarHBondContact O-CB 3.33Å; D302-D305 PolarHBondContact O-N 3.49Å
303V90.4Very high94.5Very high31 Ų3144.2 Ų44.219%0.18822%0.217CC..THydrogen-bonded Turntrans-64.7-26.1-173.6-173.40000111.9T2 V3 K25 R30T2-V303 VanDerWaalsContact CB-O 3.25Å; T2-V303 WeakPolarHBondContact CB-O 3.47Å; T2-V303 WeakPolarHBondContact CG2-O 3.44Å; V3-V303 HydrophobicContact CG2-CG1 3.74Å; K25-V303 HydrophobicContact CD-CG1 4.08Å; K25-V303 VanDerWaalsContact CE-CG1 3.41Å; K25-V303 HydrophobicContact CG-CG1 3.45Å; K25-V303 VanDerWaalsContact CG-CG1 3.45Å; R30-V303 VanDerWaalsContact CZ-CG2 3.47Å
304D90.3Very high94.6Very high27 Ų2742 Ų4214%0.14420%0.204CC..THydrogen-bonded Turntrans-107.31.8-179.9-87.9-49.7000114.7T2 V3 G26 D302T2-D304 PolarHBondContact N-OD1 3.46Å; V3-D304 VanDerWaalsContact CB-OD1 3.22Å; V3-D304 WeakPolarHBondContact CB-OD1 3.4Å; V3-D304 VanDerWaalsContact CG2-OD1 3.32Å; V3-D304 WeakPolarHBondContact CG2-OD1 3.47Å; V3-D304 PolarHBondContact N-OD1 3.3Å; G26-D304 WeakPolarHBondContact CA-OD2 3.43Å; D302-D304 PolarHBondContact O-N 2.83Å
305D94.8Very high94.7Very high2 Ų241.1 Ų41.11%0.01120%0.198CC..SBendtrans-63157.8171.7-76.7-13.9000111.5T2 P298 G300 E301 D302 E307T2-D305 PolarHBondContact OG1-O 3.29Å; P298-D305 WeakPolarHBondContact CA-OD1 3.32Å; P298-D305 WeakPolarHBondContact O-CB 3.36Å; G300-D305 WeakPolarHBondContact CA-OD2 3.36Å; G300-D305 PolarHBondContact N-OD2 2.7Å; E301-D305 PolarHBondContact N-OD2 3.38Å; D302-D305 HydrophobicContact CB-CB 4.43Å; D302-D305 WeakPolarHBondContact CB-OD2 3.35Å; D302-D305 PolarHBondContact N-OD2 3.35Å; D302-D305 WeakPolarHBondContact O-CB 3.33Å; D302-D305 PolarHBondContact O-N 3.49Å; D305-E307 PolarHBondContact O-N 3.46Å
306F95.4Very high94.7Very high6 Ų642.2 Ų42.23%0.02620%0.204CC..  trans-61.5138.2-176.9-58.2-32.2000111.8W93 Q96 F97 L100 P298 F299 I308W93-F306 AromaticContact CD1-CZ 3.87Å; W93-F306 AromaticContact CE2-CE1 3.79Å; W93-F306 HydrophobicContact CG-CZ 4.48Å; W93-F306 HydrophobicContact CZ2-CE1 4.08Å; W93-F306 AromaticContact NE1-CE1 3.37Å; W93-F306 AromaticContact NE1-CZ 3.59Å; Q96-F306 HydrophobicContact CB-CE2 4.33Å; F97-F306 HydrophobicContact CB-CE1 3.93Å; F97-F306 HydrophobicContact CB-CE2 4.15Å; F97-F306 HydrophobicContact CB-CZ 3.54Å; F97-F306 HydrophobicContact CD2-CD1 4.01Å; F97-F306 AromaticContact CD2-CE1 3.81Å; F97-F306 HydrophobicContact CD2-CE1 3.81Å; F97-F306 HydrophobicContact CD2-CZ 4.15Å; F97-F306 HydrophobicContact CG-CE1 4.23Å; F97-F306 HydrophobicContact CG-CZ 4.3Å; L100-F306 HydrophobicContact CD1-CD2 4.04Å; L100-F306 HydrophobicContact CD1-CG 4.49Å; P298-F306 HydrophobicContact CB-CD1 4.38Å; P298-F306 HydrophobicContact CB-CD2 3.76Å; P298-F306 HydrophobicContact CB-CE1 4.1Å; P298-F306 HydrophobicContact CB-CE2 3.45Å; P298-F306 VanDerWaalsContact CB-CE2 3.45Å; P298-F306 HydrophobicContact CB-CG 4.21Å; P298-F306 HydrophobicContact CB-CZ 3.61Å; P298-F306 HydrophobicContact CG-CD2 4.05Å; P298-F306 HydrophobicContact CG-CE2 3.44Å; P298-F306 VanDerWaalsContact CG-CE2 3.44Å; P298-F306 HydrophobicContact CG-CZ 3.85Å; P298-F306 PolarHBondContact O-N 3Å; F299-F306 HydrophobicContact CD1-CD2 4.48Å; F299-F306 HydrophobicContact CE1-CD2 4.08Å; F299-F306 HydrophobicContact CE2-CD2 4.49Å; F299-F306 HydrophobicContact CE2-CE2 4.47Å; F299-F306 HydrophobicContact CZ-CD2 4.07Å; F299-F306 HydrophobicContact CZ-CE2 4.29Å; F306-I308 HydrophobicContact CB-CD1 3.68Å; F306-I308 HydrophobicContact CB-CG1 4.26Å; F306-I308 PolarHBondContact O-N 2.82Å
307E94.5Very high94.8Very high78 Ų7846.6 Ų46.636%0.36422%0.224SC..  trans-77.770.8177.3-68.6-73.3-156.700111.4T2 R146 D305 E309 Y310 L311T2-E307 HydrophobicContact CG2-CG 3.45Å; T2-E307 VanDerWaalsContact CG2-CG 3.45Å; T2-E307 WeakPolarHBondContact CG2-OE1 3.24Å; R146-E307 IonicContact NH1-OE2 3.87Å; R146-E307 PolarHBondContact NH1-OE2 2.65Å; D305-E307 PolarHBondContact O-N 3.46Å; E307-E309 VanDerWaalsContact C-N 3.33Å; E307-E309 PolarHBondContact O-N 2.95Å; E307-Y310 PolarHBondContact O-N 3.2Å; E307-L311 WeakPolarHBondContact O-CG 3.44Å; E307-L311 PolarHBondContact O-N 2.9Å
308I95.2Very high94.9Very high0 Ų045 Ų450%022%0.217CC..Hα-helixtrans-62.3-38.9-174.3-59.9-52.6000112.2L100 L140 A147 F299 F306 L311 I312L100-I308 HydrophobicContact CD1-CD1 4.42Å; L140-I308 HydrophobicContact CB-CG2 4.21Å; L140-I308 HydrophobicContact CD1-CG2 3.54Å; L140-I308 HydrophobicContact CD2-CG2 4.19Å; L140-I308 HydrophobicContact CG-CG2 4.21Å; A147-I308 HydrophobicContact CB-CG2 4.06Å; F299-I308 HydrophobicContact CD1-CD1 3.64Å; F299-I308 HydrophobicContact CD1-CG1 3.94Å; F299-I308 HydrophobicContact CE1-CD1 3.64Å; F299-I308 HydrophobicContact CE1-CG1 4.44Å; F306-I308 HydrophobicContact CB-CD1 3.68Å; F306-I308 HydrophobicContact CB-CG1 4.26Å; F306-I308 PolarHBondContact O-N 2.82Å; I308-L311 HydrophobicContact CD1-CD1 4.37Å; I308-L311 PolarHBondContact O-N 3.42Å; I308-I312 HydrophobicContact CG2-CD1 4.1Å; I308-I312 WeakPolarHBondContact O-CG1 3.35Å; I308-I312 PolarHBondContact O-N 2.87Å
309E93Very high95Very high75 Ų7545 Ų4535%0.3522%0.217SC..Hα-helixtrans-62.2-45.7176.3-77.6-168.9135.500112.2R150 E307 L311 I312 E313R150-E309 WeakPolarHBondContact CD-OE1 3.36Å; E307-E309 VanDerWaalsContact C-N 3.33Å; E307-E309 PolarHBondContact O-N 2.95Å; E309-L311 VanDerWaalsContact C-N 3.3Å; E309-L311 PolarHBondContact O-N 3.4Å; E309-I312 PolarHBondContact O-N 3.05Å; E309-E313 WeakPolarHBondContact O-CG 3.43Å; E309-E313 PolarHBondContact O-N 3.22Å
310Y94.5Very high95Very high140 Ų14047 Ų4755%0.54922%0.224SC..Hα-helixtrans-59-44.1175.6168.9-100.2000111E307 I312 E313 R314E307-Y310 PolarHBondContact O-N 3.2Å; Y310-I312 PolarHBondContact O-N 3.46Å; Y310-E313 PolarHBondContact O-N 3.21Å; Y310-R314 HydrophobicContact CE1-CB 4.35Å; Y310-R314 HydrophobicContact CE1-CG 4.49Å; Y310-R314 HydrophobicContact CE2-CB 4.33Å; Y310-R314 WeakPolarHBondContact O-CB 3.41Å; Y310-R314 PolarHBondContact O-N 2.87Å
311L96.1Very high95.2Very high12 Ų1251 Ų516%0.06324%0.242CC..Hα-helixtrans-61.8-43.1178.4-70.4176.6000111.9L100 W102 E307 I308 E309 N315L100-L311 HydrophobicContact CD1-CD1 3.89Å; W102-L311 HydrophobicContact CH2-CD2 3.59Å; W102-L311 HydrophobicContact CZ2-CD2 3.67Å; W102-L311 HydrophobicContact CZ3-CD2 4.33Å; E307-L311 WeakPolarHBondContact O-CG 3.44Å; E307-L311 PolarHBondContact O-N 2.9Å; I308-L311 HydrophobicContact CD1-CD1 4.37Å; I308-L311 PolarHBondContact O-N 3.42Å; E309-L311 VanDerWaalsContact C-N 3.3Å; E309-L311 PolarHBondContact O-N 3.4Å; L311-N315 WeakPolarHBondContact O-CB 3.27Å; L311-N315 PolarHBondContact O-N 3.19Å; L311-N315 PolarHBondContact O-ND2 2.94Å
312I95.9Very high95.4Very high6 Ų646.2 Ų46.23%0.03122%0.22CC..Hα-helixtrans-59.5-50.1176.2-70.1169.8000110.7Y136 L140 A147 F151 I308 E309 Y310 N315 L316Y136-I312 HydrophobicContact CD1-CG1 4.18Å; Y136-I312 HydrophobicContact CE1-CG1 4.01Å; L140-I312 HydrophobicContact CD1-CD1 3.86Å; L140-I312 HydrophobicContact CD1-CG1 3.67Å; A147-I312 HydrophobicContact CB-CD1 4.31Å; F151-I312 HydrophobicContact CE2-CD1 4.19Å; F151-I312 HydrophobicContact CE2-CG2 4.39Å; I308-I312 HydrophobicContact CG2-CD1 4.1Å; I308-I312 WeakPolarHBondContact O-CG1 3.35Å; I308-I312 PolarHBondContact O-N 2.87Å; E309-I312 PolarHBondContact O-N 3.05Å; Y310-I312 PolarHBondContact O-N 3.46Å; I312-N315 PolarHBondContact O-N 2.93Å; I312-L316 WeakPolarHBondContact O-CB 3.38Å; I312-L316 PolarHBondContact O-N 3.16Å
313E96.3Very high95.7Very high84 Ų8442.6 Ų42.639%0.39320%0.2SC..Hα-helixtrans-64.6-48.1-178-72.7179.7-178.700112.5R150 E309 Y310 N315 L316 Q317R150-E313 IonicContact CZ-OE1 2.94Å; R150-E313 IonicContact NH1-OE1 2.76Å; R150-E313 PolarHBondContact NH1-OE1 2.99Å; R150-E313 IonicContact NH2-OE1 3.09Å; R150-E313 PolarHBondContact NH2-OE1 2.97Å; E309-E313 WeakPolarHBondContact O-CG 3.43Å; E309-E313 PolarHBondContact O-N 3.22Å; Y310-E313 PolarHBondContact O-N 3.21Å; E313-N315 VanDerWaalsContact C-N 3.32Å; E313-N315 PolarHBondContact O-N 3.2Å; E313-L316 PolarHBondContact O-N 2.99Å; E313-Q317 WeakPolarHBondContact O-CG 3.5Å; E313-Q317 PolarHBondContact O-N 3.38Å
314R97.7Very high95.9Very high50 Ų5043.8 Ų43.819%0.18921%0.206CC..Hα-helixtrans-59.9-46.1178.2-178.6-88.1178.4-155.80.8110.3D104 Y310 L316 Q317 V318D104-R314 IonicContact OD1-CZ 2.71Å; D104-R314 VanDerWaalsContact OD1-CZ 3.25Å; D104-R314 IonicContact OD1-NH1 2.81Å; D104-R314 PolarHBondContact OD1-NH1 3.45Å; D104-R314 IonicContact OD1-NH2 3.19Å; D104-R314 PolarHBondContact OD1-NH2 3.23Å; D104-R314 IonicContact OD2-CZ 2.79Å; D104-R314 IonicContact OD2-NH1 2.87Å; D104-R314 PolarHBondContact OD2-NH1 3.32Å; D104-R314 IonicContact OD2-NH2 2.78Å; Y310-R314 HydrophobicContact CE1-CB 4.35Å; Y310-R314 HydrophobicContact CE1-CG 4.49Å; Y310-R314 HydrophobicContact CE2-CB 4.33Å; Y310-R314 WeakPolarHBondContact O-CB 3.41Å; Y310-R314 PolarHBondContact O-N 2.87Å; R314-L316 VanDerWaalsContact C-N 3.34Å; R314-L316 PolarHBondContact O-N 2.8Å; R314-Q317 PolarHBondContact O-N 3.37Å; R314-V318 HydrophobicContact CG-CG2 4.17Å; R314-V318 VanDerWaalsContact O-CB 3.29Å; R314-V318 WeakPolarHBondContact O-CB 3.47Å; R314-V318 VanDerWaalsContact O-CG2 3.29Å; R314-V318 WeakPolarHBondContact O-CG2 3.38Å; R314-V318 PolarHBondContact O-N 3.29Å
315N97.5Very high96Very high1 Ų144.4 Ų44.41%0.00522%0.218CC..Hα-helixtrans-61.4-45.4-180-76.7-10.4000110.9P103 L311 I312 E313 S319P103-N315 VanDerWaalsContact CD-OD1 3.29Å; P103-N315 WeakPolarHBondContact CD-OD1 3.45Å; P103-N315 HydrophobicContact CG-CB 3.79Å; L311-N315 WeakPolarHBondContact O-CB 3.27Å; L311-N315 PolarHBondContact O-N 3.19Å; L311-N315 PolarHBondContact O-ND2 2.94Å; I312-N315 PolarHBondContact O-N 2.93Å; E313-N315 VanDerWaalsContact C-N 3.32Å; E313-N315 PolarHBondContact O-N 3.2Å; N315-S319 WeakPolarHBondContact O-CB 3.32Å; N315-S319 PolarHBondContact O-N 3.05Å; N315-S319 PolarHBondContact O-OG 3.2Å
316L96.3Very high96Very high46 Ų4649.3 Ų49.324%0.24124%0.242CC..Hα-helixtrans-60.4-52.2177.5-164.869.3000111.5N133 L162 I312 E313 R314 S319 Y320N133-L316 HydrophobicContact CB-CD1 4.1Å; L162-L316 HydrophobicContact CD2-CD1 3.59Å; L162-L316 HydrophobicContact CD2-CD2 4.05Å; L162-L316 HydrophobicContact CD2-CG 4.47Å; I312-L316 WeakPolarHBondContact O-CB 3.38Å; I312-L316 PolarHBondContact O-N 3.16Å; E313-L316 PolarHBondContact O-N 2.99Å; R314-L316 VanDerWaalsContact C-N 3.34Å; R314-L316 PolarHBondContact O-N 2.8Å; L316-S319 PolarHBondContact O-OG 3.35Å; L316-Y320 HydrophobicContact CD1-CD2 4.06Å; L316-Y320 HydrophobicContact CD1-CE2 3.48Å; L316-Y320 VanDerWaalsContact CD1-CE2 3.48Å; L316-Y320 HydrophobicContact CG-CD2 4.03Å; L316-Y320 HydrophobicContact CG-CE2 3.86Å; L316-Y320 WeakPolarHBondContact O-CD2 3.38Å; L316-Y320 PolarHBondContact O-N 3Å
317Q97Very high95.9Very high139 Ų13949.3 Ų49.365%0.6524%0.242SC*.Hα-helixtrans-63.5-51.5-177.2-71.2-179.36.600112.5E313 R314 S319 Y320 L321E313-Q317 WeakPolarHBondContact O-CG 3.5Å; E313-Q317 PolarHBondContact O-N 3.38Å; R314-Q317 PolarHBondContact O-N 3.37Å; Q317-S319 PolarHBondContact O-N 3.33Å; Q317-Y320 PolarHBondContact O-N 3.49Å; Q317-L321 WeakPolarHBondContact O-CB 3.34Å; Q317-L321 PolarHBondContact O-N 2.91Å
318V97.9Very high95.4Very high39 Ų3949.8 Ų49.824%0.23625%0.245CC..Hα-helixtrans-66.6-41.4-175.7173.20000110.8R314 L321 I322R314-V318 HydrophobicContact CG-CG2 4.17Å; R314-V318 VanDerWaalsContact O-CB 3.29Å; R314-V318 WeakPolarHBondContact O-CB 3.47Å; R314-V318 VanDerWaalsContact O-CG2 3.29Å; R314-V318 WeakPolarHBondContact O-CG2 3.38Å; R314-V318 PolarHBondContact O-N 3.29Å; V318-L321 PolarHBondContact O-N 3.38Å; V318-I322 HydrophobicContact CG1-CD1 3.71Å; V318-I322 HydrophobicContact CG1-CG1 4.34Å; V318-I322 VanDerWaalsContact O-CG1 3.28Å; V318-I322 WeakPolarHBondContact O-CG1 3.35Å; V318-I322 PolarHBondContact O-N 3.02Å
319S97.7Very high95Very high0 Ų056.8 Ų56.80%028%0.277CS..Hα-helixtrans-67.3-39-178.963.70000112.5V129 N133 N315 L316 Q317 V323V129-S319 WeakPolarHBondContact CG1-OG 3.31Å; N133-S319 PolarHBondContact ND2-OG 3.42Å; N315-S319 WeakPolarHBondContact O-CB 3.32Å; N315-S319 PolarHBondContact O-N 3.05Å; N315-S319 PolarHBondContact O-OG 3.2Å; L316-S319 PolarHBondContact O-OG 3.35Å; Q317-S319 PolarHBondContact O-N 3.33Å; S319-V323 WeakPolarHBondContact O-CG2 3.5Å; S319-V323 PolarHBondContact O-N 2.86Å
320Y97.4Very high94.7Very high43 Ų4360.6 Ų60.617%0.16930%0.295CS..Hα-helixtrans-66.9-39.6171.9-81.1-58.9000112.9R126 R130 L316 Q317 I322 V323 D324R126-Y320 HydrophobicContact CB-CD1 4.44Å; R126-Y320 HydrophobicContact CB-CE1 4.03Å; R126-Y320 HydrophobicContact CG-CD1 4.22Å; R126-Y320 HydrophobicContact CG-CE1 4.29Å; R130-Y320 VanDerWaalsContact CB-OH 3.31Å; R130-Y320 WeakPolarHBondContact CB-OH 3.26Å; R130-Y320 WeakPolarHBondContact CD-OH 3.19Å; R130-Y320 WeakPolarHBondContact CG-OH 3.44Å; L316-Y320 HydrophobicContact CD1-CD2 4.06Å; L316-Y320 HydrophobicContact CD1-CE2 3.48Å; L316-Y320 VanDerWaalsContact CD1-CE2 3.48Å; L316-Y320 HydrophobicContact CG-CD2 4.03Å; L316-Y320 HydrophobicContact CG-CE2 3.86Å; L316-Y320 WeakPolarHBondContact O-CD2 3.38Å; L316-Y320 PolarHBondContact O-N 3Å; Q317-Y320 PolarHBondContact O-N 3.49Å; Y320-I322 VanDerWaalsContact C-N 3.34Å; Y320-I322 PolarHBondContact O-N 3.2Å; Y320-V323 PolarHBondContact O-N 2.92Å; Y320-D324 VanDerWaalsContact O-CB 3.29Å; Y320-D324 WeakPolarHBondContact O-CB 3.25Å; Y320-D324 PolarHBondContact O-N 3.37Å
321L97.4Very high94.7Very high98 Ų9859.5 Ų59.551%0.51331%0.305SS..Iπ-helixtrans-58.1-47.3176.5176.862.5000111.2Q317 V318 V323 G325 M326Q317-L321 WeakPolarHBondContact O-CB 3.34Å; Q317-L321 PolarHBondContact O-N 2.91Å; V318-L321 PolarHBondContact O-N 3.38Å; L321-V323 PolarHBondContact O-N 2.9Å; L321-G325 CarbonylContact O-C 3.53Å; L321-G325 WeakPolarHBondContact O-CA 3.27Å; L321-G325 PolarHBondContact O-N 2.92Å; L321-M326 HydrophobicContact CD1-CG 4.2Å; L321-M326 HydrophobicContact CD2-SD 4.48Å; L321-M326 HydrophobicContact CG-CG 4.14Å; L321-M326 HydrophobicContact CG-SD 4.08Å; L321-M326 PolarHBondContact O-N 3.34Å
322I97.3Very high94.5Very high17 Ų1765.9 Ų65.99%0.08734%0.339CS..Iπ-helixtrans-63.1-44.6-177.9-68.5165.8000112A107 L108 T111 V318 Y320 M326A107-I322 HydrophobicContact CB-CB 3.99Å; A107-I322 HydrophobicContact CB-CD1 4.04Å; A107-I322 HydrophobicContact CB-CG2 3.77Å; L108-I322 HydrophobicContact CD2-CG2 4.11Å; L108-I322 HydrophobicContact CG-CG2 4.49Å; T111-I322 HydrophobicContact CG2-CG2 3.87Å; T111-I322 PolarHBondContact OG1-O 3.36Å; V318-I322 HydrophobicContact CG1-CD1 3.71Å; V318-I322 HydrophobicContact CG1-CG1 4.34Å; V318-I322 VanDerWaalsContact O-CG1 3.28Å; V318-I322 WeakPolarHBondContact O-CG1 3.35Å; V318-I322 PolarHBondContact O-N 3.02Å; Y320-I322 VanDerWaalsContact C-N 3.34Å; Y320-I322 PolarHBondContact O-N 3.2Å; I322-M326 HydrophobicContact CG1-SD 4.47Å
323V96.8Very high94.4Very high0 Ų074.1 Ų74.10%038%0.382CS..Iπ-helixtrans-88.6-11.2-172-55.90000114.5A107 I110 R125 V129 S319 Y320 L321A107-V323 HydrophobicContact CB-CG1 3.85Å; I110-V323 HydrophobicContact CB-CG1 4.13Å; I110-V323 HydrophobicContact CG2-CB 4.43Å; I110-V323 HydrophobicContact CG2-CG1 3.94Å; R125-V323 HydrophobicContact CB-CB 4.1Å; R125-V323 HydrophobicContact CB-CG2 4.34Å; R125-V323 PolarHBondContact NE-O 3.08Å; V129-V323 HydrophobicContact CB-CG2 4.33Å; V129-V323 HydrophobicContact CG2-CB 4.29Å; V129-V323 HydrophobicContact CG2-CG1 3.54Å; V129-V323 HydrophobicContact CG2-CG2 3.86Å; S319-V323 WeakPolarHBondContact O-CG2 3.5Å; S319-V323 PolarHBondContact O-N 2.86Å; Y320-V323 PolarHBondContact O-N 2.92Å; L321-V323 PolarHBondContact O-N 2.9Å
324D95Very high94.4Very high57 Ų5775.6 Ų75.631%0.30540%0.397SS..Iπ-helixtrans-123.7-71.3-179-162.916.9000110.6T122 R126 Y320 M326 H327T122-D324 WeakPolarHBondContact CG2-OD1 3.43Å; R126-D324 WeakPolarHBondContact CD-OD2 3.5Å; R126-D324 HydrophobicContact CG-CB 4.38Å; R126-D324 IonicContact CZ-OD2 2.73Å; R126-D324 IonicContact NE-OD2 3.68Å; R126-D324 IonicContact NH1-OD2 2.67Å; R126-D324 PolarHBondContact NH1-OD2 3.39Å; Y320-D324 VanDerWaalsContact O-CB 3.29Å; Y320-D324 WeakPolarHBondContact O-CB 3.25Å; Y320-D324 PolarHBondContact O-N 3.37Å; D324-M326 PolarHBondContact O-N 3.07Å; D324-M326 VanDerWaalsContact O-N 3.13Å; D324-H327 WeakPolarHBondContact O-CB 3.37Å; D324-H327 PolarHBondContact O-N 3.01Å
325G92Very high94.2Very high39 Ų3981.9 Ų81.940%0.40242%0.42SS..Iπ-helixtrans-65-19.2-174.400000115.5L321L321-G325 CarbonylContact O-C 3.53Å; L321-G325 WeakPolarHBondContact O-CA 3.27Å; L321-G325 PolarHBondContact O-N 2.92Å
326M94.4Very high93.9Very high105 Ų10586 Ų8652%0.51744%0.443SS..THydrogen-bonded Turntrans-109.50175.5-61.317967.600112.8L321 I322 D324 H328 E329L321-M326 HydrophobicContact CD1-CG 4.2Å; L321-M326 HydrophobicContact CD2-SD 4.48Å; L321-M326 HydrophobicContact CG-CG 4.14Å; L321-M326 HydrophobicContact CG-SD 4.08Å; L321-M326 PolarHBondContact O-N 3.34Å; I322-M326 HydrophobicContact CG1-SD 4.47Å; D324-M326 PolarHBondContact O-N 3.07Å; D324-M326 VanDerWaalsContact O-N 3.13Å; M326-H328 PolarHBondContact O-N 3.2Å; M326-H328 VanDerWaalsContact O-N 3.11Å; M326-E329 PolarHBondContact O-N 3.46Å
327H93.2Very high93.6Very high6 Ų688.4 Ų88.43%0.02847%0.469CS..THydrogen-bonded Turntrans-70.5114.3-171.9-176.167.4000111.3T111 C114 N117 R125 D324 E329T111-H327 PolarHBondContact O-CE1 3.05Å; T111-H327 PolarHBondContact O-ND1 3.28Å; T111-H327 PolarHBondContact OG1-ND1 3.01Å; C114-H327 PolarHBondContact O-CE1 2.83Å; C114-H327 PolarHBondContact O-NE2 2.77Å; N117-H327 PolarHBondContact OD1-CD2 3.27Å; N117-H327 VanDerWaalsContact OD1-CD2 3.28Å; R125-H327 VanDerWaalsContact CZ-CG 3.43Å; R125-H327 VanDerWaalsContact CZ-NE2 3.29Å; R125-H327 PolarHBondContact NH1-CD2 3.26Å; R125-H327 PolarHBondContact NH1-NE2 3.06Å; R125-H327 PolarHBondContact NH2-CD2 2.92Å; D324-H327 WeakPolarHBondContact O-CB 3.37Å; D324-H327 PolarHBondContact O-N 3.01Å; H327-E329 PolarHBondContact O-N 3.31Å
328H85.4Confident93.2Very high88 Ų8885.9 Ų85.941%0.40745%0.454SS..THydrogen-bonded Turntrans58.69.7-174.2-68.9-52000115.4H115 M326 H330H115-H328 AromaticContact ND1-CE1 3.88Å; H115-H328 AromaticContact ND1-NE2 3.63Å; M326-H328 PolarHBondContact O-N 3.2Å; M326-H328 VanDerWaalsContact O-N 3.11Å; H328-H330 PolarHBondContact O-ND1 3.38Å
329E85.7Confident92.8Very high148 Ų14890 Ų9069%0.69247%0.466SS*.  trans-94.7107.5172.9-63.2-164.1179.700109.3M326 H327M326-E329 PolarHBondContact O-N 3.46Å; H327-E329 PolarHBondContact O-N 3.31Å
330H87.2Confident92.4Very high154 Ų15496.9 Ų96.971%0.71350%0.502SS*.  trans-142.9150.2178.857.9-56.8000109.8H328H328-H330 PolarHBondContact O-ND1 3.38Å
331P94.3Very high91.9Very high118 Ų11898.2 Ų98.277%0.76652%0.515SS*.  trans-58.6154.8174.3-22.433.5000111.9
332D92.8Very high91.1Very high145 Ų145100 Ų10078%0.77553%0.53SS*.  trans-56.3145175.3-69.2-38.1000111.5V334D332-V334 PolarHBondContact O-N 3.23Å; D332-V334 VanDerWaalsContact O-N 3.1Å
333L93.8Very high90.4Very high179 Ų179105.3 Ų105.394%0.93756%0.559SS**  trans-67.7111175.9-175.768.9000109.6
334V95.1Very high89.7Confident116 Ų116110 Ų11070%0.70358%0.583SS**  trans-113155.8176.6-63.30000111D332D332-V334 PolarHBondContact O-N 3.23Å; D332-V334 VanDerWaalsContact O-N 3.1Å
335R94.5Very high88.8Confident181 Ų181114.5 Ų114.568%0.68361%0.605SS**  trans-67.2132.2165.8-70179.5175.21731.8108.5W339R335-W339 HydrophobicContact CB-CB 3.95Å; R335-W339 HydrophobicContact CB-CD2 3.99Å; R335-W339 HydrophobicContact CB-CE3 4.2Å; R335-W339 HydrophobicContact CB-CG 3.86Å; R335-W339 HydrophobicContact CG-CB 4.47Å; R335-W339 HydrophobicContact CG-CD2 3.64Å; R335-W339 HydrophobicContact CG-CE3 3.98Å; R335-W339 HydrophobicContact CG-CG 3.84Å
336D91.9Very high88Confident88 Ų88118 Ų11847%0.47161%0.614SS.*  trans-71.9168.7175.966.991.9000111.6Y338 W339D336-Y338 PolarHBondContact O-N 3.11Å; D336-Y338 VanDerWaalsContact O-N 3.12Å; D336-Y338 VanDerWaalsContact OD1-C 3.31Å; D336-Y338 VanDerWaalsContact OD1-CA 3.3Å; D336-Y338 WeakPolarHBondContact OD1-CA 3.27Å; D336-Y338 WeakPolarHBondContact OD1-CB 3.33Å; D336-Y338 PolarHBondContact OD1-N 2.71Å; D336-W339 WeakPolarHBondContact O-CB 3.43Å; D336-W339 PolarHBondContact O-N 2.85Å; D336-W339 VanDerWaalsContact O-N 3.16Å; D336-W339 PolarHBondContact OD1-N 3.38Å
337A88.4Confident86.9Confident96 Ų96115.6 Ų115.679%0.79361%0.607SS**THydrogen-bonded Turntrans-63.3-17.4-177.400000114
338Y89Confident85.6Confident86 Ų86118.4 Ų118.434%0.33762%0.622SS.*THydrogen-bonded Turntrans-109.914.2-177.9-51.7-69.7000112.1D336 N340 T341 I344D336-Y338 PolarHBondContact O-N 3.11Å; D336-Y338 VanDerWaalsContact O-N 3.12Å; D336-Y338 VanDerWaalsContact OD1-C 3.31Å; D336-Y338 VanDerWaalsContact OD1-CA 3.3Å; D336-Y338 WeakPolarHBondContact OD1-CA 3.27Å; D336-Y338 WeakPolarHBondContact OD1-CB 3.33Å; D336-Y338 PolarHBondContact OD1-N 2.71Å; Y338-N340 PolarHBondContact O-N 3.4Å; Y338-T341 VanDerWaalsContact O-CB 3.23Å; Y338-T341 WeakPolarHBondContact O-CB 3.14Å; Y338-T341 PolarHBondContact O-N 3.3Å; Y338-T341 PolarHBondContact O-OG1 2.98Å; Y338-I344 HydrophobicContact CD1-CB 4.47Å; Y338-I344 HydrophobicContact CD1-CG1 4.2Å; Y338-I344 HydrophobicContact CD1-CG2 3.76Å; Y338-I344 HydrophobicContact CD2-CD1 4.3Å; Y338-I344 HydrophobicContact CD2-CG2 4.37Å; Y338-I344 HydrophobicContact CE1-CG2 3.67Å; Y338-I344 HydrophobicContact CE2-CG2 4.29Å; Y338-I344 HydrophobicContact CG-CD1 4.09Å; Y338-I344 HydrophobicContact CG-CG1 4.06Å; Y338-I344 HydrophobicContact CG-CG2 4.1Å
339W90Very high84.6Confident127 Ų127122.6 Ų122.648%0.48163%0.634SS.*THydrogen-bonded Turntrans-52.6131.3177.4-172.4-88.9000111.2R335 D336 T341R335-W339 HydrophobicContact CB-CB 3.95Å; R335-W339 HydrophobicContact CB-CD2 3.99Å; R335-W339 HydrophobicContact CB-CE3 4.2Å; R335-W339 HydrophobicContact CB-CG 3.86Å; R335-W339 HydrophobicContact CG-CB 4.47Å; R335-W339 HydrophobicContact CG-CD2 3.64Å; R335-W339 HydrophobicContact CG-CE3 3.98Å; R335-W339 HydrophobicContact CG-CG 3.84Å; D336-W339 WeakPolarHBondContact O-CB 3.43Å; D336-W339 PolarHBondContact O-N 2.85Å; D336-W339 VanDerWaalsContact O-N 3.16Å; D336-W339 PolarHBondContact OD1-N 3.38Å; W339-T341 VanDerWaalsContact C-N 3.28Å; W339-T341 PolarHBondContact O-N 3.02Å
340N89.3Confident83.2Confident143 Ų143117.7 Ų117.777%0.76561%0.614SS**THydrogen-bonded Turntrans63.916.5-172.7-57.1-31.1000116.4Y338Y338-N340 PolarHBondContact O-N 3.4Å
341T86.2Confident81.7Confident72 Ų72116.3 Ų116.344%0.44261%0.606SS.*  trans-104.5127175.6-510000110.5Y338 W339 D343Y338-T341 VanDerWaalsContact O-CB 3.23Å; Y338-T341 WeakPolarHBondContact O-CB 3.14Å; Y338-T341 PolarHBondContact O-N 3.3Å; Y338-T341 PolarHBondContact O-OG1 2.98Å; W339-T341 VanDerWaalsContact C-N 3.28Å; W339-T341 PolarHBondContact O-N 3.02Å; T341-D343 VanDerWaalsContact CG2-O 3.32Å; T341-D343 WeakPolarHBondContact CG2-O 3.48Å
342T81.7Confident79.6Confident136 Ų136116.2 Ų116.283%0.83460%0.597SS**SBendtrans-84.7-37.9175.450.40000112.2
343D82.2Confident77.7Confident128 Ų128113.5 Ų113.568%0.68459%0.585SS**SBendtrans-111.899.6-178.6-67.1-41.2000110.9T341 I345T341-D343 VanDerWaalsContact CG2-O 3.32Å; T341-D343 WeakPolarHBondContact CG2-O 3.48Å; D343-I345 PolarHBondContact O-N 3.28Å
344I82.1Confident75.7Confident98 Ų98110.2 Ų110.250%0.50357%0.573SS.*  trans-77.5112.4179.7-60.8174.5000109.5Y338 L346Y338-I344 HydrophobicContact CD1-CB 4.47Å; Y338-I344 HydrophobicContact CD1-CG1 4.2Å; Y338-I344 HydrophobicContact CD1-CG2 3.76Å; Y338-I344 HydrophobicContact CD2-CD1 4.3Å; Y338-I344 HydrophobicContact CD2-CG2 4.37Å; Y338-I344 HydrophobicContact CE1-CG2 3.67Å; Y338-I344 HydrophobicContact CE2-CG2 4.29Å; Y338-I344 HydrophobicContact CG-CD1 4.09Å; Y338-I344 HydrophobicContact CG-CG1 4.06Å; Y338-I344 HydrophobicContact CG-CG2 4.1Å; I344-L346 HydrophobicContact CG2-CD2 4.42Å
345I75.6Confident73.4Confident152 Ų152113.5 Ų113.578%0.77958%0.581SS**  trans-101114.2170.3-55.8176.2000107.7D343D343-I345 PolarHBondContact O-N 3.28Å
346L75.7Confident70.8Confident111 Ų111107.3 Ų107.358%0.58157%0.574SS**  trans-70.9147.1177.2-68.4173.2000110.6I344I344-L346 HydrophobicContact CG2-CD2 4.42Å
347P70.1Confident68.2Low56 Ų56107.2 Ų107.236%0.36459%0.593SS.*  trans-57.2143173.5-19.830.4000111.4W349 M352P347-W349 VanDerWaalsContact O-CD1 3.26Å; P347-W349 PolarHBondContact O-N 3.36Å; P347-W349 PolarHBondContact O-NE1 2.93Å; P347-M352 HydrophobicContact CB-CE 3.65Å; P347-M352 HydrophobicContact CG-CE 4.35Å
348D67.2Low65.6Low64 Ų64107.1 Ų107.134%0.34259%0.592SS.*  trans-72.296.8176.1-168.4-5.6000109.9T350 K351D348-T350 PolarHBondContact O-N 3.4Å; D348-T350 VanDerWaalsContact O-N 3.11Å; D348-T350 PolarHBondContact OD1-N 3.34Å; D348-T350 PolarHBondContact OD1-OG1 2.92Å; D348-K351 HydrophobicContact CB-CD 4.28Å; D348-K351 PolarHBondContact O-N 3.26Å; D348-K351 VanDerWaalsContact O-N 3.11Å; D348-K351 WeakPolarHBondContact OD2-CE 3.35Å; D348-K351 IonicContact OD2-NZ 2.77Å; D348-K351 PolarHBondContact OD2-NZ 3.06Å
349W63.2Low63.4Low177 Ų177106.6 Ų106.667%0.6761%0.606SS**Hα-helixtrans-59.4-24-174.7-6196.7000113.3P347 K351 M352P347-W349 VanDerWaalsContact O-CD1 3.26Å; P347-W349 PolarHBondContact O-N 3.36Å; P347-W349 PolarHBondContact O-NE1 2.93Å; W349-K351 VanDerWaalsContact C-N 3.31Å; W349-K351 PolarHBondContact O-N 3.03Å; W349-M352 PolarHBondContact O-N 3.09Å
350T57.8Low61Low44 Ų44110.1 Ų110.127%0.2763%0.628SS.*Hα-helixtrans-72.2-24179.961.40000113.2D348 T353D348-T350 PolarHBondContact O-N 3.4Å; D348-T350 VanDerWaalsContact O-N 3.11Å; D348-T350 PolarHBondContact OD1-N 3.34Å; D348-T350 PolarHBondContact OD1-OG1 2.92Å; T350-T353 PolarHBondContact O-OG1 3.48Å
351K55.3Low58.9Low125 Ų125106.3 Ų106.354%0.54362%0.616SS.*Hα-helixtrans-86.1-20177.8-68.7177.3-178.9132.10113.2D348 W349 T354D348-K351 HydrophobicContact CB-CD 4.28Å; D348-K351 PolarHBondContact O-N 3.26Å; D348-K351 VanDerWaalsContact O-N 3.11Å; D348-K351 WeakPolarHBondContact OD2-CE 3.35Å; D348-K351 IonicContact OD2-NZ 2.77Å; D348-K351 PolarHBondContact OD2-NZ 3.06Å; W349-K351 VanDerWaalsContact C-N 3.31Å; W349-K351 PolarHBondContact O-N 3.03Å; K351-T354 PolarHBondContact O-OG1 3.12Å; K351-T354 VanDerWaalsContact O-OG1 3.09Å
352M50.6Low56.7Low117 Ų117110.2 Ų110.258%0.57663%0.634SS**Hα-helixtrans-77.7-23.6177.9-71.1-176175.700113.1P347 W349P347-M352 HydrophobicContact CB-CE 3.65Å; P347-M352 HydrophobicContact CG-CE 4.35Å; W349-M352 PolarHBondContact O-N 3.09Å
353T52.4Low55Low87 Ų87109.3 Ų109.353%0.53462%0.624SS.*THydrogen-bonded Turntrans-83.6-16.4-179.449.30000113.8T350T350-T353 PolarHBondContact O-OG1 3.48Å
354T50.8Low53.1Low111 Ų111110.1 Ų110.168%0.68163%0.628SS**THydrogen-bonded Turntrans-85.2-20.8-178.741.60000114.1K351K351-T354 PolarHBondContact O-OG1 3.12Å; K351-T354 VanDerWaalsContact O-OG1 3.09Å
355E46.8Very low51.2Low184 Ų184109.3 Ų109.386%0.8664%0.636SS**SBendtrans-86.6-11.8177.5-68.5-170.8161.800113.9
356G40.6Very low49.8Very low52 Ų52105.5 Ų105.554%0.53662%0.623SS.*SBendtrans-115.597.5172.600000110.7A358G356-A358 PolarHBondContact O-N 3.07Å
357G36.5Very low48.4Very low85 Ų85108.2 Ų108.288%0.87663%0.632SS**SBendtrans-53.4101.5-173.200000114.5
358A35.2Very low47.6Very low94 Ų94108.1 Ų108.178%0.77764%0.642SS**  trans167.487.8141.500000110.4G356G356-A358 PolarHBondContact O-N 3.07Å
359A43Very low47.2Very low75 Ų75109.3 Ų109.362%0.6266%0.66SS**  trans168.5106.3139.100000109.2A361A359-A361 PolarHBondContact O-N 3.23Å
360E38.9Very low47.2Very low202 Ų202105.5 Ų105.594%0.94465%0.653SS**  trans-64.780.2153.3-77.7178.6154.900107.8N362E360-N362 PolarHBondContact O-N 2.9Å
361A44.4Very low47.9Very low63 Ų63112.5 Ų112.552%0.52168%0.68SS.*  trans-76.3102.8160.900000106.6A359 L363A359-A361 PolarHBondContact O-N 3.23Å; A361-L363 HydrophobicContact CB-CD1 3.86Å; A361-L363 HydrophobicContact CB-CG 4.23Å; A361-L363 PolarHBondContact O-N 3.5Å
362N40Very low49.1Very low154 Ų154114.8 Ų114.882%0.82469%0.69SS**  trans-58.180.5159.7-92.4-25.9000108.9E360E360-N362 PolarHBondContact O-N 2.9Å
363L47.3Very low50.6Low117 Ų117115 Ų11561%0.61370%0.698SS**  trans-112.467.1169.8-78.9161.8000107.3A361 A365A361-L363 HydrophobicContact CB-CD1 3.86Å; A361-L363 HydrophobicContact CB-CG 4.23Å; A361-L363 PolarHBondContact O-N 3.5Å; L363-A365 PolarHBondContact O-N 3.46Å
364D42.4Very low51.8Low145 Ų145111.8 Ų111.878%0.77568%0.682SS**  trans-67.930.2164.1-80.1-23.8000111.9
365A42.2Very low53.3Low81 Ų81111.8 Ų111.867%0.66969%0.687SS**SBendtrans-14551.4-168.300000112.3L363L363-A365 PolarHBondContact O-N 3.46Å
366S45.9Very low55Low72 Ų72111.1 Ų111.150%0.50369%0.688SS.*  trans-167.16.2153.276.30000115.8G368S366-G368 VanDerWaalsContact C-N 3.3Å; S366-G368 PolarHBondContact O-N 2.77Å
367E46.3Very low56.8Low167 Ų167110.3 Ų110.378%0.7868%0.677SS**SBendtrans-77.786.1165.2-76.2-164.6153.100108.4
368G53.1Low58.4Low55 Ų55114.1 Ų114.157%0.56768%0.677SS**SBendtrans103.925.1171.100000117.1S366 D370S366-G368 VanDerWaalsContact C-N 3.3Å; S366-G368 PolarHBondContact O-N 2.77Å; G368-D370 PolarHBondContact O-N 3.26Å; G368-D370 VanDerWaalsContact O-N 3.07Å
369A58.2Low60Low88 Ų88113.9 Ų113.973%0.72766%0.662SS**  trans-70.4104.1162.800000108.4K371A369-K371 PolarHBondContact O-N 3.07Å
370D64.3Low61Low97 Ų97114.4 Ų114.452%0.51965%0.654SS.*  trans-47.5138.4174.8-76.1-33.2000110.4G368 F372G368-D370 PolarHBondContact O-N 3.26Å; G368-D370 VanDerWaalsContact O-N 3.07Å; D370-F372 PolarHBondContact O-N 3.04Å; D370-F372 VanDerWaalsContact O-N 3.08Å
371K72.4Confident62.2Low192 Ų192111.8 Ų111.884%0.83565%0.645SS**  trans-52.4123.8174.4-74-178.4-178.7176.20107.6A369 V373A369-K371 PolarHBondContact O-N 3.07Å; K371-V373 WeakPolarHBondContact O-CG2 3.47Å; K371-V373 PolarHBondContact O-N 3.27Å
372F80.7Confident62.8Low172 Ų172114.6 Ų114.675%0.75466%0.656SS**  trans-62.2104.3177.4177.9-106.8000109.7D370 G374D370-F372 PolarHBondContact O-N 3.04Å; D370-F372 VanDerWaalsContact O-N 3.08Å; F372-G374 VanDerWaalsContact C-N 3.35Å
373V81.2Confident63.5Low121 Ų121115.1 Ų115.173%0.73365%0.653SS**  trans-88.2-8.5-179.7-165.30000111.7K371 A377K371-V373 WeakPolarHBondContact O-CG2 3.47Å; K371-V373 PolarHBondContact O-N 3.27Å; V373-A377 HydrophobicContact CB-CB 3.81Å; V373-A377 HydrophobicContact CG1-CB 4.17Å
374G77.2Confident63.4Low21 Ų21115.3 Ų115.322%0.21665%0.651CS.*  trans123.3156.9-178.500000112F372 L376 A377F372-G374 VanDerWaalsContact C-N 3.35Å; G374-L376 PolarHBondContact O-N 3.05Å; G374-A377 WeakPolarHBondContact O-CB 3.31Å; G374-A377 PolarHBondContact O-N 2.68Å; G374-A377 VanDerWaalsContact O-N 3.14Å
375S83.4Confident63.4Low111 Ų111119.6 Ų119.678%0.77666%0.656SS**THydrogen-bonded Turntrans-67.8-15.1-176.653.60000114.6
376L81.1Confident63.1Low169 Ų169121.4 Ų121.489%0.88566%0.661SS**THydrogen-bonded Turntrans-101.1-2.2176.9-61179.2000113G374 N378G374-L376 PolarHBondContact O-N 3.05Å; L376-N378 PolarHBondContact O-N 2.79Å
377A79.9Confident62.9Low36 Ų36122 Ų12230%0.29867%0.666SS.*SBendtrans-67.5127.3173.500000108.2V373 G374 I379V373-A377 HydrophobicContact CB-CB 3.81Å; V373-A377 HydrophobicContact CG1-CB 4.17Å; G374-A377 WeakPolarHBondContact O-CB 3.31Å; G374-A377 PolarHBondContact O-N 2.68Å; G374-A377 VanDerWaalsContact O-N 3.14Å; A377-I379 VanDerWaalsContact C-N 3.26Å; A377-I379 PolarHBondContact O-N 2.66Å
378N69.8Low62.7Low164 Ų164119.7 Ų119.788%0.87766%0.662SS**  trans-73.188.4173.9-163.626000107.6L376 D380L376-N378 PolarHBondContact O-N 2.79Å; N378-D380 PolarHBondContact O-N 3.32Å
379I68Low62.1Low89 Ų89123.8 Ų123.846%0.45667%0.671SS.*  trans-70.3118173.8-61.3170.4000105.9A377 I381A377-I379 VanDerWaalsContact C-N 3.26Å; A377-I379 PolarHBondContact O-N 2.66Å; I379-I381 HydrophobicContact CG2-CG1 4.5Å; I379-I381 PolarHBondContact O-N 3.13Å
380D64.1Low61.2Low86 Ų86128 Ų12846%0.4667%0.673SS.*  trans-74.194.1175.6-164.1-16.1000109.3N378 T382N378-D380 PolarHBondContact O-N 3.32Å; D380-T382 PolarHBondContact O-N 3.41Å; D380-T382 VanDerWaalsContact O-N 3.16Å; D380-T382 WeakPolarHBondContact OD1-CB 3.48Å; D380-T382 PolarHBondContact OD1-N 2.86Å; D380-T382 PolarHBondContact OD1-OG1 3.24Å
381I64.8Low59.8Low147 Ų147133.7 Ų133.775%0.75469%0.687SS**THydrogen-bonded Turntrans-67.7-10.6179.9-57.7163.7000110.8I379I379-I381 HydrophobicContact CG2-CG1 4.5Å; I379-I381 PolarHBondContact O-N 3.13Å
382T57.4Low58.1Low122 Ų122129.8 Ų129.875%0.74868%0.675SS**THydrogen-bonded Turntrans-91.1-14.8-169.670.20000115.3D380D380-T382 PolarHBondContact O-N 3.41Å; D380-T382 VanDerWaalsContact O-N 3.16Å; D380-T382 WeakPolarHBondContact OD1-CB 3.48Å; D380-T382 PolarHBondContact OD1-N 2.86Å; D380-T382 PolarHBondContact OD1-OG1 3.24Å
383E53.6Low55.9Low165 Ų165126.9 Ų126.977%0.77168%0.677SS**SBendtrans-90.9-2.9-179.8-75.6-166.4151.200114.9
384H45.6Very low53.7Low121 Ų121124.9 Ų124.956%0.5667%0.668SS**SBendtrans-94.3127.3179.5-85.458.5000113.4
385R42Very low51.7Low236 Ų236130.3 Ų130.389%0.89169%0.692SS**  trans-40.9142.7170.2-81.3177.1170.9175.5-2.3111.2S387R385-S387 PolarHBondContact O-N 2.97Å
386P35.4Very low49.4Very low118 Ų118132.6 Ų132.677%0.76669%0.694SS**  trans-58.2116.2179.225.6-32.1000108.4V388P386-V388 PolarHBondContact O-N 3.31Å; P386-V388 VanDerWaalsContact O-N 3.11Å
387S42.4Very low47.1Very low86 Ų86133.2 Ų133.260%0.60169%0.693SS**  trans-54.5121.5164.456.60000106.6R385 L389R385-S387 PolarHBondContact O-N 2.97Å; S387-L389 PolarHBondContact O-N 3.05Å
388V42Very low44.7Very low118 Ų118143 Ų14372%0.71572%0.722SS**THydrogen-bonded Turntrans-67.913.5-177.9-154.90000111.6P386P386-V388 PolarHBondContact O-N 3.31Å; P386-V388 VanDerWaalsContact O-N 3.11Å
389L40.4Very low42.8Very low141 Ų141147.1 Ų147.174%0.73873%0.725SS**THydrogen-bonded Turntrans-99.8-7.5-175.2-78.6164.7000114.1S387S387-L389 PolarHBondContact O-N 3.05Å
390F39Very low40.9Very low177 Ų177154.5 Ų154.578%0.77675%0.747SS**SBendtrans-93.9-9.4174.4-136.9-93.7000114.4
391W35Very low39.5Very low215 Ų215156.1 Ų156.181%0.81476%0.76SS**SBendtrans-121.911.4-175.5-88.288.3000116.2
392N36.4Very low38Very low111 Ų111153.9 Ų153.959%0.59476%0.757SS**  trans-104.612.2178.2-111.3-8.9000115.5
393S35.1Very low36.6Very low111 Ų111154.2 Ų154.278%0.77677%0.765SS**THydrogen-bonded Turntrans-87.53.7174.265.80000114.7
394S35.6Very low35.7Very low79 Ų79150.3 Ų150.355%0.55276%0.761SS**THydrogen-bonded Turntrans-107.24.5-176.452.20000116
395N34.4Very low34.9Very low135 Ų135149.9 Ų149.972%0.72277%0.772SS**  trans-11417.4179.6-79.8-36000116.1H397N395-H397 PolarHBondContact O-N 2.77Å
396L36.5Very low34.6Very low158 Ų158144.9 Ų144.983%0.82777%0.768SS**SBendtrans-82.815.8173.4-108135000114.6
397H31.5Very low34.5Very low183 Ų183148.3 Ų148.385%0.84777%0.77SS**SBendtrans-13262.4177.9-85.2-7.4000113.4N395N395-H397 PolarHBondContact O-N 2.77Å
398R30.4Very low34Very low242 Ų242155.6 Ų155.691%0.91379%0.785SS**  trans178.594.5144.3-111.5174.1169.7174.7-2.5112.3
399R29.8Very low33.7Very low250 Ų250155.8 Ų155.894%0.94379%0.791SS**  trans-161.265.9140.9-113.7177-178.1-173.21.4109.9
400R27.5Very low33.7Very low244 Ų244154.7 Ų154.792%0.92179%0.793SS**  trans-110.590.5153.6-98.7-174.2172.5179.2-1.3107.1
401T34.4Very low33.6Very low119 Ų119154.7 Ų154.773%0.7380%0.795SS**  trans-147.694.3158.649.70000106.5
402S33.7Very low33.9Very low100 Ų100152 Ų15270%0.69980%0.795SS**  74.996.8115.470.10000114.4A404S402-A404 PolarHBondContact O-N 2.85Å
403S28.1Very low34.4Very low130 Ų130155.7 Ų155.791%0.90983%0.829SS**  trans-54.410814950.80000109.8
404A33.8Very low34.3Very low82 Ų82157.9 Ų157.968%0.67883%0.832SS**  trans-132.296.4165.400000108.7S402S402-A404 PolarHBondContact O-N 2.85Å
405S29.6Very low34.3Very low113 Ų113162.1 Ų162.179%0.7985%0.847SS**  trans0.8118.3142.6144.60000115.3
406T34.7Very low34.2Very low131 Ų131163.6 Ų163.680%0.80485%0.854SS**  trans-147.8101.4144.5-47.40000111.2
407K34.8Very low34.1Very low190 Ų190163.9 Ų163.983%0.82686%0.855SS**  trans32.8120138.7-68.1178.4175.4178.10120.6
408R32.1Very low34.3Very low239 Ų239162.7 Ų162.790%0.90286%0.856SS**  trans-7.2133.7130.4-75.2177.3171.3179.4-3115.9
409S35Very low34.5Very low121 Ų121157.4 Ų157.485%0.84685%0.852SS**  -164153.9124.1-74.20000110.1
410P40.6Very low34.9Very low119 Ų119150.8 Ų150.877%0.77385%0.845SS**  trans-108.5172.4-146.139.4-30.7000115.7
411Q37.1Very low35.4Very low176 Ų176143.6 Ų143.682%0.82284%0.839SS**  trans-6.8145.9159.2-65.8-176.2-37.500118.7
412I41.9Very low35.5Very low158 Ų158145.7 Ų145.781%0.8185%0.848SS**  -176.8149107-85.9151.8000109.8
413S45.1Very low35.7Very low189 Ų189149.8 Ų149.8100%1.32286%0.862SS**  trans76.50173.569.40000117.9

Retrieved 413 of 413 residues in 96.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).