A0A096LPE2_HUMAN Loading...

SAA2-SAA4 readthrough

AlphaFold DB , UniProt , Accession A0A096LPE2, Species HUMAN (Homo sapiens, Human), Gene SAA2-SAA4, Length 208 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M52.8Low52.7Low202 Ų202117.3 Ų117.3100%0.99563%0.634SS**  0-49.10-63.4-161.5122.300113.2L3 L4 T5M1-L3 PolarHBondContact O-N 2.81Å; M1-L4 PolarHBondContact O-N 3Å; M1-L4 VanDerWaalsContact O-N 3.13Å; M1-T5 PolarHBondContact O-N 3.04Å; M1-T5 VanDerWaalsContact O-N 3.08Å; M1-T5 PolarHBondContact O-OG1 2.91Å
2K44Very low52.9Low196 Ų196116 Ų11685%0.85263%0.626SS**Hα-helixtrans-56.6-37.7-179-62.2-178.1179.1179.40115.5G6K2-G6 PolarHBondContact O-N 2.97Å; K2-G6 VanDerWaalsContact O-N 3.1Å
3L47.7Very low53Low150 Ų150112.5 Ų112.579%0.78561%0.611SS**Hα-helixtrans-68.9-37.9176.1-95.9158.2000113.4M1 G6 L7M1-L3 PolarHBondContact O-N 2.81Å; L3-G6 PolarHBondContact O-N 3.46Å; L3-L7 WeakPolarHBondContact O-CB 3.48Å; L3-L7 PolarHBondContact O-N 3.42Å
4L49.8Very low52.8Low127 Ų127110.9 Ų110.967%0.66560%0.601SS**Hα-helixtrans-71.3-40.3179.2-162.183.8000110.7M1 L7 V8M1-L4 PolarHBondContact O-N 3Å; M1-L4 VanDerWaalsContact O-N 3.13Å; L4-L7 PolarHBondContact O-N 3.35Å; L4-V8 VanDerWaalsContact O-CG2 3.3Å; L4-V8 WeakPolarHBondContact O-CG2 3.4Å; L4-V8 PolarHBondContact O-N 2.93Å
5T59.8Low52.7Low97 Ų97108.2 Ų108.260%0.59559%0.594SS**Hα-helixtrans-63.9-40.6174.8-39.90000111.4M1 F9M1-T5 PolarHBondContact O-N 3.04Å; M1-T5 VanDerWaalsContact O-N 3.08Å; M1-T5 PolarHBondContact O-OG1 2.91Å; T5-F9 WeakPolarHBondContact O-CB 3.36Å; T5-F9 PolarHBondContact O-N 3.31Å
6G53.8Low52.7Low42 Ų42107.3 Ų107.343%0.43359%0.592SS.*Hα-helixtrans-65.4-40.4173.900000113.5K2 L3 F9 C10K2-G6 PolarHBondContact O-N 2.97Å; K2-G6 VanDerWaalsContact O-N 3.1Å; L3-G6 PolarHBondContact O-N 3.46Å; G6-F9 PolarHBondContact O-N 3.25Å; G6-C10 WeakPolarHBondContact O-CB 3.37Å; G6-C10 PolarHBondContact O-N 3.44Å
7L58.9Low52.7Low119 Ų119101.6 Ų101.662%0.62356%0.561SS**Hα-helixtrans-67.3-40.5177.6-111.7154.4000112.9L3 L4 C10 S11L3-L7 WeakPolarHBondContact O-CB 3.48Å; L3-L7 PolarHBondContact O-N 3.42Å; L4-L7 PolarHBondContact O-N 3.35Å; L7-C10 PolarHBondContact O-N 3.36Å; L7-S11 WeakPolarHBondContact O-CB 3.41Å; L7-S11 PolarHBondContact O-N 3.35Å; L7-S11 PolarHBondContact O-OG 3.17Å; L7-S11 VanDerWaalsContact O-OG 3.12Å
8V59.9Low53Low78 Ų7898 Ų9847%0.47355%0.545SS..Hα-helixtrans-69.6-37.1176.5172.50000111.3L4 S11 L12L4-V8 VanDerWaalsContact O-CG2 3.3Å; L4-V8 WeakPolarHBondContact O-CG2 3.4Å; L4-V8 PolarHBondContact O-N 2.93Å; V8-S11 WeakPolarHBondContact CA-OG 3.49Å; V8-S11 PolarHBondContact O-OG 2.61Å; V8-L12 HydrophobicContact CG1-CD1 4.02Å; V8-L12 WeakPolarHBondContact O-CB 3.46Å; V8-L12 PolarHBondContact O-N 3.18Å
9F51.4Low53.6Low145 Ų145103.7 Ų103.764%0.63656%0.557SS**Hα-helixtrans-69.3-41.1174.6-158.2-94.8000111.4T5 G6 L12 V13T5-F9 WeakPolarHBondContact O-CB 3.36Å; T5-F9 PolarHBondContact O-N 3.31Å; G6-F9 PolarHBondContact O-N 3.25Å; F9-L12 PolarHBondContact O-N 3.2Å; F9-V13 HydrophobicContact CD1-CG2 3.96Å; F9-V13 HydrophobicContact CE1-CG2 3.87Å; F9-V13 WeakPolarHBondContact O-CB 3.32Å; F9-V13 VanDerWaalsContact O-CG2 3.26Å; F9-V13 WeakPolarHBondContact O-CG2 3.41Å; F9-V13 PolarHBondContact O-N 2.72Å
10C47.1Very low54.4Low70 Ų70100.6 Ų100.647%0.47354%0.543SS..Hα-helixtrans-64.6-40176-156.80000111.6G6 L7 L14G6-C10 WeakPolarHBondContact O-CB 3.37Å; G6-C10 PolarHBondContact O-N 3.44Å; L7-C10 PolarHBondContact O-N 3.36Å; C10-L14 VanDerWaalsContact O-CB 3.28Å; C10-L14 WeakPolarHBondContact O-CB 3.28Å; C10-L14 WeakPolarHBondContact O-CD1 3.4Å; C10-L14 WeakPolarHBondContact O-CG 3.44Å; C10-L14 PolarHBondContact O-N 3.4Å
11S54.6Low55.1Low64 Ų6499.4 Ų99.445%0.44853%0.533SS..Hα-helixtrans-71.3-33.3175.764.20000113.2L7 V8 S15L7-S11 WeakPolarHBondContact O-CB 3.41Å; L7-S11 PolarHBondContact O-N 3.35Å; L7-S11 PolarHBondContact O-OG 3.17Å; L7-S11 VanDerWaalsContact O-OG 3.12Å; V8-S11 WeakPolarHBondContact CA-OG 3.49Å; V8-S11 PolarHBondContact O-OG 2.61Å; S11-S15 WeakPolarHBondContact O-CB 3.45Å; S11-S15 PolarHBondContact O-N 2.99Å
12L54.6Low56.4Low102 Ų10296.2 Ų96.253%0.53451%0.514SS..Hα-helixtrans-69-43.3172.3-88.5159000112.4V8 F9 S15 V16V8-L12 HydrophobicContact CG1-CD1 4.02Å; V8-L12 WeakPolarHBondContact O-CB 3.46Å; V8-L12 PolarHBondContact O-N 3.18Å; F9-L12 PolarHBondContact O-N 3.2Å; L12-S15 PolarHBondContact O-N 3Å; L12-V16 WeakPolarHBondContact O-CB 3.32Å; L12-V16 VanDerWaalsContact O-CG2 3.3Å; L12-V16 WeakPolarHBondContact O-CG2 3.46Å; L12-V16 PolarHBondContact O-N 3.34Å
13V54Low58.3Low71 Ų7189.7 Ų89.743%0.4349%0.493SS..Hα-helixtrans-63.7-48.6175.2171.60000110.3F9 S15 V16 S17F9-V13 HydrophobicContact CD1-CG2 3.96Å; F9-V13 HydrophobicContact CE1-CG2 3.87Å; F9-V13 WeakPolarHBondContact O-CB 3.32Å; F9-V13 VanDerWaalsContact O-CG2 3.26Å; F9-V13 WeakPolarHBondContact O-CG2 3.41Å; F9-V13 PolarHBondContact O-N 2.72Å; V13-S15 VanDerWaalsContact C-N 3.27Å; V13-S15 PolarHBondContact O-N 2.91Å; V13-V16 PolarHBondContact O-N 2.67Å; V13-S17 VanDerWaalsContact O-CB 3.31Å; V13-S17 WeakPolarHBondContact O-CB 3.28Å; V13-S17 PolarHBondContact O-N 2.96Å; V13-S17 PolarHBondContact O-OG 3.49Å
14L50.8Low60.1Low90 Ų9083.3 Ų83.347%0.47146%0.459SS..Hα-helixtrans-62.2-32.5174.6-69.6169000112.6C10 S18C10-L14 VanDerWaalsContact O-CB 3.28Å; C10-L14 WeakPolarHBondContact O-CB 3.28Å; C10-L14 WeakPolarHBondContact O-CD1 3.4Å; C10-L14 WeakPolarHBondContact O-CG 3.44Å; C10-L14 PolarHBondContact O-N 3.4Å; L14-S18 WeakPolarHBondContact O-CB 3.43Å; L14-S18 PolarHBondContact O-N 3.41Å; L14-S18 PolarHBondContact O-OG 3.05Å
15S51.2Low61.6Low70 Ų7081.1 Ų81.149%0.4945%0.448SS..Hα-helixtrans-73.3-40.9177.4-172.40000112.4S11 L12 V13 S18 R19S11-S15 WeakPolarHBondContact O-CB 3.45Å; S11-S15 PolarHBondContact O-N 2.99Å; L12-S15 PolarHBondContact O-N 3Å; V13-S15 VanDerWaalsContact C-N 3.27Å; V13-S15 PolarHBondContact O-N 2.91Å; S15-S18 WeakPolarHBondContact CA-OG 3.35Å; S15-S18 PolarHBondContact O-N 2.92Å; S15-S18 PolarHBondContact O-OG 2.99Å; S15-R19 PolarHBondContact O-N 3.48Å; S15-R19 VanDerWaalsContact O-N 3.12Å
16V52.2Low63Low93 Ų9378.1 Ų78.156%0.56444%0.436SS*.Hα-helixtrans-71.2-39.8175.8173.70000111.3L12 V13 R19 S20L12-V16 WeakPolarHBondContact O-CB 3.32Å; L12-V16 VanDerWaalsContact O-CG2 3.3Å; L12-V16 WeakPolarHBondContact O-CG2 3.46Å; L12-V16 PolarHBondContact O-N 3.34Å; V13-V16 PolarHBondContact O-N 2.67Å; V16-R19 PolarHBondContact O-N 3.34Å; V16-S20 PolarHBondContact O-N 3.07Å; V16-S20 PolarHBondContact O-OG 3.07Å
17S54.1Low64.9Low11 Ų1178.2 Ų78.28%0.07743%0.425CS..Hα-helixtrans-68-34.7174.3-58.20000112.1V13 F21 C167V13-S17 VanDerWaalsContact O-CB 3.31Å; V13-S17 WeakPolarHBondContact O-CB 3.28Å; V13-S17 PolarHBondContact O-N 2.96Å; V13-S17 PolarHBondContact O-OG 3.49Å; S17-F21 WeakPolarHBondContact O-CB 3.49Å; S17-F21 PolarHBondContact O-N 3.32Å; S17-F21 VanDerWaalsContact O-N 3.08Å; S17-C167 WeakPolarHBondContact CB-O 3.4Å; S17-C167 PolarHBondContact OG-O 3.44Å
18S57.5Low66.3Low37 Ų3773 Ų7326%0.25940%0.399SS..Hα-helixtrans-68.1-37.8174.7700000112.2L14 S15 S20 F21 F22L14-S18 WeakPolarHBondContact O-CB 3.43Å; L14-S18 PolarHBondContact O-N 3.41Å; L14-S18 PolarHBondContact O-OG 3.05Å; S15-S18 WeakPolarHBondContact CA-OG 3.35Å; S15-S18 PolarHBondContact O-N 2.92Å; S15-S18 PolarHBondContact O-OG 2.99Å; S18-S20 PolarHBondContact O-N 2.98Å; S18-F21 PolarHBondContact O-N 2.9Å; S18-F22 WeakPolarHBondContact O-CB 3.27Å; S18-F22 WeakPolarHBondContact O-CD2 3.28Å; S18-F22 WeakPolarHBondContact O-CG 3.31Å; S18-F22 PolarHBondContact O-N 3.49Å
19R64.4Low67.8Low206 Ų20676.1 Ų76.178%0.77741%0.407SS*.Hα-helixtrans-63.6-41.7178.5-163.2171.8-172.2179.81.6112.9S15 V16 S23S15-R19 PolarHBondContact O-N 3.48Å; S15-R19 VanDerWaalsContact O-N 3.12Å; V16-R19 PolarHBondContact O-N 3.34Å; R19-S23 PolarHBondContact O-N 3.44Å; R19-S23 PolarHBondContact O-OG 2.8Å
20S69.8Low69.9Low41 Ų4171.6 Ų71.629%0.28739%0.389SS..Hα-helixtrans-70.8-33.3176.1-54.80000112.4V16 S18 S23 F24V16-S20 PolarHBondContact O-N 3.07Å; V16-S20 PolarHBondContact O-OG 3.07Å; S18-S20 PolarHBondContact O-N 2.98Å; S20-S23 WeakPolarHBondContact CA-OG 3.36Å; S20-S23 PolarHBondContact O-OG 3.21Å; S20-F24 WeakPolarHBondContact O-CB 3.34Å; S20-F24 PolarHBondContact O-N 3.48Å
21F69.4Low72.3Confident76 Ų7668.3 Ų68.333%0.33337%0.367SS..Hα-helixtrans-68.4-45.5173.4178.4-101.4000112S17 S18 S23 F24 L25 L164S17-F21 WeakPolarHBondContact O-CB 3.49Å; S17-F21 PolarHBondContact O-N 3.32Å; S17-F21 VanDerWaalsContact O-N 3.08Å; S18-F21 PolarHBondContact O-N 2.9Å; F21-S23 VanDerWaalsContact C-N 3.33Å; F21-S23 PolarHBondContact O-N 3.19Å; F21-F24 PolarHBondContact O-N 3.43Å; F21-L25 HydrophobicContact CD1-CD1 3.94Å; F21-L25 HydrophobicContact CD1-CG 4.44Å; F21-L25 HydrophobicContact CE1-CD1 3.31Å; F21-L25 HydrophobicContact CE1-CG 4.05Å; F21-L25 HydrophobicContact CE2-CD1 4.49Å; F21-L25 HydrophobicContact CE2-CG 4.47Å; F21-L25 HydrophobicContact CZ-CD1 3.63Å; F21-L25 HydrophobicContact CZ-CD2 4.35Å; F21-L25 HydrophobicContact CZ-CG 4.05Å; F21-L25 WeakPolarHBondContact O-CG 3.39Å; F21-L25 PolarHBondContact O-N 3.27Å; F21-L164 HydrophobicContact CD2-CD1 3.72Å; F21-L164 HydrophobicContact CD2-CD2 4.41Å; F21-L164 HydrophobicContact CD2-CG 4.21Å; F21-L164 HydrophobicContact CE2-CD1 4.15Å
22F79.4Confident74.1Confident136 Ų13667 Ų6760%0.59636%0.36SS*.Hα-helixtrans-66.1-34.9176.9-71.8-58.5000112.1S18 G26S18-F22 WeakPolarHBondContact O-CB 3.27Å; S18-F22 WeakPolarHBondContact O-CD2 3.28Å; S18-F22 WeakPolarHBondContact O-CG 3.31Å; S18-F22 PolarHBondContact O-N 3.49Å; F22-G26 PolarHBondContact O-N 3.47Å
23S84.4Confident76.1Confident59 Ų5968.4 Ų68.441%0.41336%0.358SS..Hα-helixtrans-64.8-47.5172.367.30000111R19 S20 F21 L25 G26 E27R19-S23 PolarHBondContact O-N 3.44Å; R19-S23 PolarHBondContact O-OG 2.8Å; S20-S23 WeakPolarHBondContact CA-OG 3.36Å; S20-S23 PolarHBondContact O-OG 3.21Å; F21-S23 VanDerWaalsContact C-N 3.33Å; F21-S23 PolarHBondContact O-N 3.19Å; S23-L25 VanDerWaalsContact C-N 3.32Å; S23-L25 PolarHBondContact O-N 3.34Å; S23-G26 PolarHBondContact O-N 2.83Å; S23-G26 VanDerWaalsContact O-N 3.1Å; S23-E27 VanDerWaalsContact O-CG 3.24Å; S23-E27 WeakPolarHBondContact O-CG 3.41Å; S23-E27 PolarHBondContact O-N 2.97Å
24F85.1Confident78.2Confident16 Ų1665.5 Ų65.57%0.0734%0.34CS..Hα-helixtrans-56.5-44.7175.7178.5-85.6000112.3S20 F21 E27 A28 P67 G68 W71 L161 L164S20-F24 WeakPolarHBondContact O-CB 3.34Å; S20-F24 PolarHBondContact O-N 3.48Å; F21-F24 PolarHBondContact O-N 3.43Å; F24-E27 PolarHBondContact O-N 3.01Å; F24-A28 WeakPolarHBondContact O-CB 3.34Å; F24-A28 PolarHBondContact O-N 3.25Å; F24-P67 HydrophobicContact CD2-CB 4.38Å; F24-P67 HydrophobicContact CE2-CB 4.44Å; F24-G68 VanDerWaalsContact CD2-CA 3.48Å; F24-W71 HydrophobicContact CE1-CD2 4.47Å; F24-W71 HydrophobicContact CE1-CE3 4.35Å; F24-W71 HydrophobicContact CE2-CB 4.37Å; F24-W71 HydrophobicContact CZ-CB 3.97Å; F24-W71 HydrophobicContact CZ-CD2 4.06Å; F24-W71 HydrophobicContact CZ-CE3 4.29Å; F24-W71 AromaticContact CZ-CG 3.92Å; F24-W71 HydrophobicContact CZ-CG 3.92Å; F24-L161 HydrophobicContact CE1-CD2 4.33Å; F24-L161 HydrophobicContact CE2-CD2 4.36Å; F24-L161 HydrophobicContact CZ-CD2 3.71Å; F24-L164 HydrophobicContact CB-CD1 3.85Å; F24-L164 HydrophobicContact CD1-CD1 3.32Å; F24-L164 HydrophobicContact CD2-CB 4.3Å; F24-L164 HydrophobicContact CD2-CD1 3.98Å; F24-L164 HydrophobicContact CE1-CD1 3.8Å; F24-L164 HydrophobicContact CE2-CD1 4.37Å; F24-L164 HydrophobicContact CG-CD1 3.43Å; F24-L164 VanDerWaalsContact CG-CD1 3.43Å; F24-L164 HydrophobicContact CZ-CD1 4.3Å
25L82.2Confident80.3Confident80 Ų8062 Ų6242%0.41932%0.321SS..Hα-helixtrans-63.9-40.4176.5-74.2-176.7000112.4F21 S23 A28 F29F21-L25 HydrophobicContact CD1-CD1 3.94Å; F21-L25 HydrophobicContact CD1-CG 4.44Å; F21-L25 HydrophobicContact CE1-CD1 3.31Å; F21-L25 HydrophobicContact CE1-CG 4.05Å; F21-L25 HydrophobicContact CE2-CD1 4.49Å; F21-L25 HydrophobicContact CE2-CG 4.47Å; F21-L25 HydrophobicContact CZ-CD1 3.63Å; F21-L25 HydrophobicContact CZ-CD2 4.35Å; F21-L25 HydrophobicContact CZ-CG 4.05Å; F21-L25 WeakPolarHBondContact O-CG 3.39Å; F21-L25 PolarHBondContact O-N 3.27Å; S23-L25 VanDerWaalsContact C-N 3.32Å; S23-L25 PolarHBondContact O-N 3.34Å; L25-A28 PolarHBondContact O-N 3.39Å; L25-F29 WeakPolarHBondContact O-CB 3.46Å; L25-F29 PolarHBondContact O-N 3.04Å
26G87.6Confident82.2Confident34 Ų3467.2 Ų67.235%0.35133%0.331SS..Hα-helixtrans-61.9-47.1174.500000112.1F22 S23 A28 F29 D30F22-G26 PolarHBondContact O-N 3.47Å; S23-G26 PolarHBondContact O-N 2.83Å; S23-G26 VanDerWaalsContact O-N 3.1Å; G26-A28 VanDerWaalsContact C-N 3.33Å; G26-A28 PolarHBondContact O-N 3.36Å; G26-F29 PolarHBondContact O-N 3.15Å; G26-D30 PolarHBondContact O-N 3.3Å
27E93.8Very high84.3Confident44 Ų4467.3 Ų67.321%0.20632%0.321CS..Hα-helixtrans-60.4-41.7175.5-66.8169.9-162.900112S23 F24 G31 R65 G66 P67 G68 G69S23-E27 VanDerWaalsContact O-CG 3.24Å; S23-E27 WeakPolarHBondContact O-CG 3.41Å; S23-E27 PolarHBondContact O-N 2.97Å; F24-E27 PolarHBondContact O-N 3.01Å; E27-G31 PolarHBondContact O-N 2.86Å; E27-R65 HydrophobicContact CB-CB 4.18Å; E27-R65 HydrophobicContact CG-CB 4.48Å; E27-R65 VanDerWaalsContact CG-O 3.25Å; E27-R65 WeakPolarHBondContact CG-O 3.26Å; E27-G66 VanDerWaalsContact OE2-C 3.31Å; E27-G66 WeakPolarHBondContact OE2-CA 3.48Å; E27-P67 VanDerWaalsContact OE2-CD 3.3Å; E27-P67 WeakPolarHBondContact OE2-CD 3.25Å; E27-G68 PolarHBondContact OE2-N 2.96Å; E27-G69 VanDerWaalsContact O-CA 3.31Å; E27-G69 WeakPolarHBondContact O-CA 3.22Å; E27-G69 PolarHBondContact O-N 2.89Å
28A88.6Confident86.2Confident9 Ų967 Ų677%0.07432%0.319CS..Hα-helixtrans-66.1-40.9177.400000112F24 L25 G26 G31 A32 G68 W71 A72F24-A28 WeakPolarHBondContact O-CB 3.34Å; F24-A28 PolarHBondContact O-N 3.25Å; L25-A28 PolarHBondContact O-N 3.39Å; G26-A28 VanDerWaalsContact C-N 3.33Å; G26-A28 PolarHBondContact O-N 3.36Å; A28-G31 PolarHBondContact O-N 3.2Å; A28-A32 WeakPolarHBondContact O-CB 3.48Å; A28-A32 PolarHBondContact O-N 2.68Å; A28-G68 VanDerWaalsContact CA-O 3.27Å; A28-G68 WeakPolarHBondContact CA-O 3.45Å; A28-G68 WeakPolarHBondContact CB-O 3.18Å; A28-W71 HydrophobicContact CB-CE3 3.92Å; A28-W71 HydrophobicContact CB-CZ3 4.06Å; A28-A72 HydrophobicContact CB-CB 4.31Å; A28-A72 VanDerWaalsContact O-CB 3.28Å; A28-A72 WeakPolarHBondContact O-CB 3.34Å
29F91.6Very high87.7Confident144 Ų14469.9 Ų69.963%0.63233%0.325SS*.Hα-helixtrans-63.7-48175.7179-94.5000111.7L25 G26 A32 R33L25-F29 WeakPolarHBondContact O-CB 3.46Å; L25-F29 PolarHBondContact O-N 3.04Å; G26-F29 PolarHBondContact O-N 3.15Å; F29-A32 PolarHBondContact O-N 2.91Å; F29-R33 PolarHBondContact O-N 3.27Å
30D96.6Very high89Confident51 Ų5162.7 Ų62.727%0.27331%0.306SS..Hα-helixtrans-64.4-40.3176.6-82.9-18.2000111.8G26 A32 R33 D34 R65G26-D30 PolarHBondContact O-N 3.3Å; D30-A32 VanDerWaalsContact C-N 3.34Å; D30-A32 PolarHBondContact O-N 3.41Å; D30-R33 WeakPolarHBondContact O-CB 3.28Å; D30-R33 PolarHBondContact O-N 3.23Å; D30-R33 VanDerWaalsContact O-N 3.15Å; D30-D34 PolarHBondContact O-N 3.39Å; D30-R65 HydrophobicContact CB-CG 4.21Å; D30-R65 IonicContact OD2-NH1 3.67Å; D30-R65 PolarHBondContact OD2-NH1 3.08Å
31G95.9Very high90.3Very high0 Ų063.5 Ų63.50%031%0.307CS..Hα-helixtrans-61.4-41.3174.500000112.3E27 A28 R33 D34 M35E27-G31 PolarHBondContact O-N 2.86Å; A28-G31 PolarHBondContact O-N 3.2Å; G31-R33 VanDerWaalsContact C-N 3.32Å; G31-R33 PolarHBondContact O-N 3.36Å; G31-D34 PolarHBondContact O-N 2.65Å; G31-M35 WeakPolarHBondContact O-CG 3.29Å; G31-M35 PolarHBondContact O-N 3.14Å
32A93.2Very high91.4Very high36 Ų3661.5 Ų61.530%0.29830%0.299SS..Hα-helixtrans-62.7-39.3173.700000112.2A28 F29 D30 M35 W36 I76A28-A32 WeakPolarHBondContact O-CB 3.48Å; A28-A32 PolarHBondContact O-N 2.68Å; F29-A32 PolarHBondContact O-N 2.91Å; D30-A32 VanDerWaalsContact C-N 3.34Å; D30-A32 PolarHBondContact O-N 3.41Å; A32-M35 PolarHBondContact O-N 2.93Å; A32-W36 PolarHBondContact O-N 2.93Å; A32-I76 HydrophobicContact CB-CD1 3.7Å
33R96.1Very high91.9Very high132 Ų13264 Ų6450%0.49831%0.305SS..Hα-helixtrans-64.1-39.7174.2-173.7-177.4-178.3-172.81.3112F29 D30 G31 W36 R37F29-R33 PolarHBondContact O-N 3.27Å; D30-R33 WeakPolarHBondContact O-CB 3.28Å; D30-R33 PolarHBondContact O-N 3.23Å; D30-R33 VanDerWaalsContact O-N 3.15Å; G31-R33 VanDerWaalsContact C-N 3.32Å; G31-R33 PolarHBondContact O-N 3.36Å; R33-W36 PolarHBondContact O-N 3.25Å; R33-R37 VanDerWaalsContact NE-NH2 3.17Å; R33-R37 VanDerWaalsContact NH2-NH2 3.18Å; R33-R37 WeakPolarHBondContact O-CG 3.49Å; R33-R37 PolarHBondContact O-N 2.96Å
34D97.4Very high92.4Very high11 Ų1168.7 Ų68.76%0.05932%0.32CS..Hα-helixtrans-68.3-38.5177.9-69.9-26000111.5D30 G31 W36 R37 A38 D61 R65D30-D34 PolarHBondContact O-N 3.39Å; G31-D34 PolarHBondContact O-N 2.65Å; D34-W36 PolarHBondContact O-N 2.99Å; D34-R37 PolarHBondContact O-N 3.41Å; D34-R37 IonicContact OD1-CZ 2.9Å; D34-R37 IonicContact OD1-NH1 3.47Å; D34-R37 PolarHBondContact OD1-NH1 3.1Å; D34-A38 WeakPolarHBondContact O-CB 3.44Å; D34-A38 PolarHBondContact O-N 3.37Å; D34-D61 HydrophobicContact CB-CB 4.11Å; D34-R65 IonicContact OD1-NH2 2.8Å; D34-R65 PolarHBondContact OD1-NH2 2.78Å; D34-R65 IonicContact OD2-CZ 3.57Å; D34-R65 VanDerWaalsContact OD2-CZ 3.29Å; D34-R65 IonicContact OD2-NE 3.18Å; D34-R65 PolarHBondContact OD2-NE 3.48Å; D34-R65 IonicContact OD2-NH2 2.81Å; D34-R65 PolarHBondContact OD2-NH2 3.45Å
35M95.4Very high92.8Very high15 Ų1570.5 Ų70.57%0.07434%0.338CS..Hα-helixtrans-61.4-42.5170.3-68.9-64.4-74.600112.3G31 A32 A38 Y39 N59 A62 A73 I76G31-M35 WeakPolarHBondContact O-CG 3.29Å; G31-M35 PolarHBondContact O-N 3.14Å; A32-M35 PolarHBondContact O-N 2.93Å; M35-A38 PolarHBondContact O-N 3.1Å; M35-Y39 PolarHBondContact O-N 3.25Å; M35-Y39 VanDerWaalsContact O-N 3.08Å; M35-N59 VanDerWaalsContact CE-OD1 3.32Å; M35-N59 WeakPolarHBondContact CE-OD1 3.46Å; M35-N59 PolarHBondContact SD-OD1 2.81Å; M35-N59 VanDerWaalsContact SD-OD1 3.39Å; M35-A62 HydrophobicContact CG-CB 4.3Å; M35-A73 HydrophobicContact CG-CB 4.37Å; M35-A73 HydrophobicContact SD-CB 3.96Å; M35-I76 HydrophobicContact CB-CD1 3.92Å; M35-I76 HydrophobicContact CB-CG2 4.19Å; M35-I76 HydrophobicContact CE-CB 4.24Å; M35-I76 HydrophobicContact CE-CG2 3.97Å; M35-I76 HydrophobicContact CG-CD1 4.08Å
36W91.8Very high93.2Very high181 Ų18173.5 Ų73.569%0.68635%0.354SS*.Hα-helixtrans-64.2-44.6176.6-177.9-89.2000112.2A32 R33 D34 A38 Y39 S40A32-W36 PolarHBondContact O-N 2.93Å; R33-W36 PolarHBondContact O-N 3.25Å; D34-W36 PolarHBondContact O-N 2.99Å; W36-A38 VanDerWaalsContact C-N 3.34Å; W36-A38 PolarHBondContact O-N 2.83Å; W36-Y39 PolarHBondContact O-N 3.2Å; W36-S40 PolarHBondContact O-N 2.92Å
37R95.8Very high93.4Very high95 Ų9580.3 Ų80.336%0.35837%0.371SS..Hα-helixtrans-58.1-47174.4-77.2175.7178.4142.6-9.9111.2R33 D34 Y39 S40 D41R33-R37 VanDerWaalsContact NE-NH2 3.17Å; R33-R37 VanDerWaalsContact NH2-NH2 3.18Å; R33-R37 WeakPolarHBondContact O-CG 3.49Å; R33-R37 PolarHBondContact O-N 2.96Å; D34-R37 PolarHBondContact O-N 3.41Å; D34-R37 IonicContact OD1-CZ 2.9Å; D34-R37 IonicContact OD1-NH1 3.47Å; D34-R37 PolarHBondContact OD1-NH1 3.1Å; R37-Y39 VanDerWaalsContact C-N 3.27Å; R37-Y39 PolarHBondContact O-N 2.89Å; R37-S40 WeakPolarHBondContact O-CB 3.45Å; R37-S40 PolarHBondContact O-N 2.99Å; R37-S40 VanDerWaalsContact O-N 3.09Å; R37-D41 PolarHBondContact O-N 2.96Å
38A94Very high93.1Very high5 Ų586.1 Ų86.14%0.04140%0.402CS..Hα-helixtrans-59.9-39.4179.300000112.9D34 M35 W36 M42 F54D34-A38 WeakPolarHBondContact O-CB 3.44Å; D34-A38 PolarHBondContact O-N 3.37Å; M35-A38 PolarHBondContact O-N 3.1Å; W36-A38 VanDerWaalsContact C-N 3.34Å; W36-A38 PolarHBondContact O-N 2.83Å; A38-M42 WeakPolarHBondContact O-CB 3.47Å; A38-M42 PolarHBondContact O-N 2.91Å; A38-M42 VanDerWaalsContact O-N 3.11Å; A38-F54 WeakPolarHBondContact CB-O 3.42Å; A38-F54 WeakPolarHBondContact O-CD1 3.4Å
39Y89Confident93.1Very high97 Ų9789.1 Ų89.138%0.3843%0.433SS..Hα-helixtrans-66.3-42.2172.8175.2-103.8000113.2M35 W36 R37 M42 R43M35-Y39 PolarHBondContact O-N 3.25Å; M35-Y39 VanDerWaalsContact O-N 3.08Å; W36-Y39 PolarHBondContact O-N 3.2Å; R37-Y39 VanDerWaalsContact C-N 3.27Å; R37-Y39 PolarHBondContact O-N 2.89Å; Y39-M42 HydrophobicContact CD2-CE 3.58Å; Y39-M42 HydrophobicContact CE2-CE 3.74Å; Y39-M42 WeakPolarHBondContact O-CB 3.48Å; Y39-M42 PolarHBondContact O-N 3.37Å; Y39-R43 PolarHBondContact O-N 3.39Å; Y39-R43 VanDerWaalsContact O-N 3.1Å
40S92.5Very high93Very high54 Ų5483 Ų8338%0.37841%0.409SS..Hα-helixtrans-61.1-50.9177.5-170.20000111.3W36 R37 M42 R43 E44W36-S40 PolarHBondContact O-N 2.92Å; R37-S40 WeakPolarHBondContact O-CB 3.45Å; R37-S40 PolarHBondContact O-N 2.99Å; R37-S40 VanDerWaalsContact O-N 3.09Å; S40-M42 VanDerWaalsContact C-N 3.29Å; S40-M42 PolarHBondContact O-N 3.16Å; S40-R43 WeakPolarHBondContact O-CB 3.27Å; S40-R43 PolarHBondContact O-N 2.94Å; S40-E44 PolarHBondContact O-N 3.05Å
41D95.4Very high92.5Very high59 Ų5984 Ų8432%0.31641%0.413SS..Hα-helixtrans-62.4-36.6179.8-66.17.3000111.7R37 R43 E44 A45 F54 R57R37-D41 PolarHBondContact O-N 2.96Å; D41-R43 VanDerWaalsContact C-N 3.32Å; D41-R43 PolarHBondContact O-N 3.46Å; D41-E44 PolarHBondContact O-N 3.48Å; D41-A45 WeakPolarHBondContact O-CB 3.25Å; D41-A45 PolarHBondContact O-N 3.14Å; D41-F54 HydrophobicContact CB-CD1 4.08Å; D41-F54 HydrophobicContact CB-CE1 3.6Å; D41-F54 HydrophobicContact CB-CZ 4.46Å; D41-R57 VanDerWaalsContact CB-NH2 3.28Å; D41-R57 VanDerWaalsContact CG-NH2 3.35Å; D41-R57 IonicContact OD2-CZ 2.98Å; D41-R57 IonicContact OD2-NH1 3.06Å; D41-R57 PolarHBondContact OD2-NH1 3.09Å; D41-R57 IonicContact OD2-NH2 3.51Å; D41-R57 PolarHBondContact OD2-NH2 2.71Å
42M93.6Very high92.3Very high33 Ų3392.2 Ų92.216%0.16345%0.449CS..Hα-helixtrans-60.2-44.3173.4-177.5-170.270.400111.6A38 Y39 S40 N46 D51 F54A38-M42 WeakPolarHBondContact O-CB 3.47Å; A38-M42 PolarHBondContact O-N 2.91Å; A38-M42 VanDerWaalsContact O-N 3.11Å; Y39-M42 HydrophobicContact CD2-CE 3.58Å; Y39-M42 HydrophobicContact CE2-CE 3.74Å; Y39-M42 WeakPolarHBondContact O-CB 3.48Å; Y39-M42 PolarHBondContact O-N 3.37Å; S40-M42 VanDerWaalsContact C-N 3.29Å; S40-M42 PolarHBondContact O-N 3.16Å; M42-N46 PolarHBondContact O-N 3.17Å; M42-D51 HydrophobicContact SD-CB 4.1Å; M42-F54 HydrophobicContact CB-CB 3.71Å; M42-F54 HydrophobicContact CB-CD1 4.03Å; M42-F54 HydrophobicContact CB-CD2 3.51Å; M42-F54 HydrophobicContact CB-CE2 4.1Å; M42-F54 HydrophobicContact CB-CG 3.47Å; M42-F54 VanDerWaalsContact CB-CG 3.47Å; M42-F54 HydrophobicContact CG-CB 4.06Å; M42-F54 HydrophobicContact CG-CD2 3.6Å; M42-F54 HydrophobicContact CG-CE2 4.3Å; M42-F54 HydrophobicContact CG-CG 3.97Å; M42-F54 HydrophobicContact SD-CB 4.37Å
43R89.9Confident92.3Very high189 Ų18997.3 Ų97.371%0.71346%0.462SS*.Hα-helixtrans-69-37.9-179.5-165.3-177-177.4-166.60.7111.4Y39 S40 D41Y39-R43 PolarHBondContact O-N 3.39Å; Y39-R43 VanDerWaalsContact O-N 3.1Å; S40-R43 WeakPolarHBondContact O-CB 3.27Å; S40-R43 PolarHBondContact O-N 2.94Å; D41-R43 VanDerWaalsContact C-N 3.32Å; D41-R43 PolarHBondContact O-N 3.46Å
44E94.8Very high92.2Very high158 Ų15892 Ų9274%0.73844%0.442SS*.Hα-helixtrans-69.2-43.6175.8-174.6173.6-178.600112S40 D41 N46S40-E44 PolarHBondContact O-N 3.05Å; D41-E44 PolarHBondContact O-N 3.48Å; E44-N46 PolarHBondContact O-N 3.04Å
45A92.9Very high91.8Very high53 Ų5394.3 Ų94.344%0.43845%0.453SS..Hα-helixtrans-62.7-27.6177.600000112.8D41 Y47 F54D41-A45 WeakPolarHBondContact O-CB 3.25Å; D41-A45 PolarHBondContact O-N 3.14Å; A45-Y47 PolarHBondContact O-N 3.05Å; A45-F54 HydrophobicContact CB-CE2 4.03Å; A45-F54 HydrophobicContact CB-CZ 3.79Å
46N91.3Very high91.7Very high143 Ų14396.4 Ų96.477%0.76547%0.472SS*.THydrogen-bonded Turntrans46.440.3175.8-168.431.1000113.6M42 E44M42-N46 PolarHBondContact O-N 3.17Å; E44-N46 PolarHBondContact O-N 3.04Å
47Y91.3Very high91.9Very high177 Ų17790.7 Ų90.769%0.69445%0.451SS*.  trans-106.7124.3-174-167.2-91.3000111.2A45 G49 S50A45-Y47 PolarHBondContact O-N 3.05Å; Y47-G49 PolarHBondContact O-N 3.12Å; Y47-S50 WeakPolarHBondContact O-CB 3.31Å; Y47-S50 PolarHBondContact O-N 2.96Å; Y47-S50 PolarHBondContact O-OG 3.13Å
48I88.7Confident91.9Very high167 Ų16786.2 Ų86.286%0.85643%0.434SS*.THydrogen-bonded Turntrans-62.5129.2-177.9-61.4174.5000110S50I48-S50 VanDerWaalsContact C-N 3.31Å; I48-S50 PolarHBondContact O-N 3.17Å
49G88.8Confident91.9Very high72 Ų7288.5 Ų88.574%0.74245%0.446SS*.THydrogen-bonded Turntrans81.23.4178.400000115.2Y47 D51Y47-G49 PolarHBondContact O-N 3.12Å; G49-D51 VanDerWaalsContact C-N 3.31Å; G49-D51 PolarHBondContact O-N 3.02Å
50S88.8Confident92.2Very high16 Ų1690.5 Ų90.511%0.11245%0.454CS..  trans-77.4-10.117964.10000114.9Y47 I48 K52 Y53 F54Y47-S50 WeakPolarHBondContact O-CB 3.31Å; Y47-S50 PolarHBondContact O-N 2.96Å; Y47-S50 PolarHBondContact O-OG 3.13Å; I48-S50 VanDerWaalsContact C-N 3.31Å; I48-S50 PolarHBondContact O-N 3.17Å; S50-K52 VanDerWaalsContact C-N 3.27Å; S50-K52 PolarHBondContact O-N 3.38Å; S50-Y53 WeakPolarHBondContact O-CB 3.03Å; S50-Y53 PolarHBondContact O-N 3.32Å; S50-F54 WeakPolarHBondContact O-CD2 3.3Å; S50-F54 PolarHBondContact O-N 3.13Å; S50-F54 VanDerWaalsContact O-N 3.15Å
51D86.6Confident92.4Very high70 Ų7090.5 Ų90.537%0.37445%0.45SS..Hα-helixtrans-50.9-44.5-176.917684.7000112.4M42 G49 Y53 F54 H55 R80M42-D51 HydrophobicContact SD-CB 4.1Å; G49-D51 VanDerWaalsContact C-N 3.31Å; G49-D51 PolarHBondContact O-N 3.02Å; D51-Y53 VanDerWaalsContact C-N 3.32Å; D51-Y53 PolarHBondContact O-N 3.03Å; D51-F54 PolarHBondContact O-N 3.46Å; D51-H55 WeakPolarHBondContact O-CB 3.31Å; D51-H55 PolarHBondContact O-N 2.99Å; D51-R80 IonicContact OD1-NH2 3.27Å; D51-R80 PolarHBondContact OD1-NH2 3.46Å
52K90.8Very high92.4Very high173 Ų17387.7 Ų87.775%0.75244%0.435SS*.Hα-helixtrans-61.1-39.4178.8-67.4-176.3-179.3178.60113S50 A56S50-K52 VanDerWaalsContact C-N 3.27Å; S50-K52 PolarHBondContact O-N 3.38Å; K52-A56 VanDerWaalsContact O-CB 3.29Å; K52-A56 WeakPolarHBondContact O-CB 3.5Å; K52-A56 PolarHBondContact O-N 3.5Å
53Y93.7Very high92.4Very high143 Ų14388.4 Ų88.456%0.56145%0.445SS*.Hα-helixtrans-66.6-52.6179168.3-96.7000110.5S50 D51 H55 A56 R57S50-Y53 WeakPolarHBondContact O-CB 3.03Å; S50-Y53 PolarHBondContact O-N 3.32Å; D51-Y53 VanDerWaalsContact C-N 3.32Å; D51-Y53 PolarHBondContact O-N 3.03Å; Y53-H55 VanDerWaalsContact C-N 3.27Å; Y53-H55 PolarHBondContact O-N 3.3Å; Y53-A56 PolarHBondContact O-N 2.78Å; Y53-R57 WeakPolarHBondContact O-CB 3.43Å; Y53-R57 PolarHBondContact O-N 2.99Å
54F92.8Very high92.6Very high20 Ų2085.6 Ų85.69%0.08844%0.438CS..Hα-helixtrans-65.6-34.4-178.4-74.4-75.7000112A38 D41 M42 A45 S50 D51 R57 G58A38-F54 WeakPolarHBondContact CB-O 3.42Å; A38-F54 WeakPolarHBondContact O-CD1 3.4Å; D41-F54 HydrophobicContact CB-CD1 4.08Å; D41-F54 HydrophobicContact CB-CE1 3.6Å; D41-F54 HydrophobicContact CB-CZ 4.46Å; M42-F54 HydrophobicContact CB-CB 3.71Å; M42-F54 HydrophobicContact CB-CD1 4.03Å; M42-F54 HydrophobicContact CB-CD2 3.51Å; M42-F54 HydrophobicContact CB-CE2 4.1Å; M42-F54 HydrophobicContact CB-CG 3.47Å; M42-F54 VanDerWaalsContact CB-CG 3.47Å; M42-F54 HydrophobicContact CG-CB 4.06Å; M42-F54 HydrophobicContact CG-CD2 3.6Å; M42-F54 HydrophobicContact CG-CE2 4.3Å; M42-F54 HydrophobicContact CG-CG 3.97Å; M42-F54 HydrophobicContact SD-CB 4.37Å; A45-F54 HydrophobicContact CB-CE2 4.03Å; A45-F54 HydrophobicContact CB-CZ 3.79Å; S50-F54 WeakPolarHBondContact O-CD2 3.3Å; S50-F54 PolarHBondContact O-N 3.13Å; S50-F54 VanDerWaalsContact O-N 3.15Å; D51-F54 PolarHBondContact O-N 3.46Å; F54-R57 PolarHBondContact O-N 3.45Å; F54-G58 PolarHBondContact O-N 2.98Å
55H90.6Very high92.6Very high60 Ų6083 Ų8328%0.27842%0.422SS..Hα-helixtrans-65.7-47.4174.7-163.225.4000112D51 Y53 R57 G58 N59 S77D51-H55 WeakPolarHBondContact O-CB 3.31Å; D51-H55 PolarHBondContact O-N 2.99Å; Y53-H55 VanDerWaalsContact C-N 3.27Å; Y53-H55 PolarHBondContact O-N 3.3Å; H55-R57 VanDerWaalsContact C-N 3.34Å; H55-R57 PolarHBondContact O-N 2.94Å; H55-G58 PolarHBondContact O-N 3.42Å; H55-N59 VanDerWaalsContact O-CG 3.3Å; H55-N59 PolarHBondContact O-N 3.26Å; H55-N59 PolarHBondContact O-OD1 3.45Å; H55-S77 PolarHBondContact CE1-OG 3.43Å
56A93.6Very high92.4Very high59 Ų5981.4 Ų81.449%0.48841%0.411SS..Hα-helixtrans-62.8-41.1176.300000111.9K52 Y53 N59 Y60K52-A56 VanDerWaalsContact O-CB 3.29Å; K52-A56 WeakPolarHBondContact O-CB 3.5Å; K52-A56 PolarHBondContact O-N 3.5Å; Y53-A56 PolarHBondContact O-N 2.78Å; A56-N59 PolarHBondContact O-N 3.38Å; A56-Y60 VanDerWaalsContact O-CB 3.26Å; A56-Y60 WeakPolarHBondContact O-CB 3.42Å; A56-Y60 PolarHBondContact O-N 3.32Å
57R95.9Very high92.2Very high61 Ų6177.7 Ų77.723%0.2339%0.394CS..Hα-helixtrans-63.2-47.9176.9-172.2-176.967.5154.312111.7D41 Y53 F54 H55 N59 Y60 D61D41-R57 VanDerWaalsContact CB-NH2 3.28Å; D41-R57 VanDerWaalsContact CG-NH2 3.35Å; D41-R57 IonicContact OD2-CZ 2.98Å; D41-R57 IonicContact OD2-NH1 3.06Å; D41-R57 PolarHBondContact OD2-NH1 3.09Å; D41-R57 IonicContact OD2-NH2 3.51Å; D41-R57 PolarHBondContact OD2-NH2 2.71Å; Y53-R57 WeakPolarHBondContact O-CB 3.43Å; Y53-R57 PolarHBondContact O-N 2.99Å; F54-R57 PolarHBondContact O-N 3.45Å; H55-R57 VanDerWaalsContact C-N 3.34Å; H55-R57 PolarHBondContact O-N 2.94Å; R57-N59 VanDerWaalsContact C-N 3.34Å; R57-N59 PolarHBondContact O-N 3.13Å; R57-Y60 WeakPolarHBondContact O-CB 3.34Å; R57-Y60 PolarHBondContact O-N 2.87Å; R57-D61 PolarHBondContact O-N 3.43Å
58G94.8Very high91.9Very high1 Ų169.2 Ų69.21%0.0136%0.361CS..Hα-helixtrans-58.6-45.2176.200000112.3F54 H55 Y60 D61 A62F54-G58 PolarHBondContact O-N 2.98Å; H55-G58 PolarHBondContact O-N 3.42Å; G58-Y60 VanDerWaalsContact C-N 3.34Å; G58-Y60 PolarHBondContact O-N 3.15Å; G58-D61 PolarHBondContact O-N 2.8Å; G58-A62 VanDerWaalsContact O-CB 3.24Å; G58-A62 WeakPolarHBondContact O-CB 3.19Å; G58-A62 PolarHBondContact O-N 3.27Å
59N93.9Very high92.1Very high53 Ų5361.3 Ų61.328%0.28332%0.32SS..Hα-helixtrans-63-41176.5-70.90.4000111.8M35 H55 A56 R57 A63M35-N59 VanDerWaalsContact CE-OD1 3.32Å; M35-N59 WeakPolarHBondContact CE-OD1 3.46Å; M35-N59 PolarHBondContact SD-OD1 2.81Å; M35-N59 VanDerWaalsContact SD-OD1 3.39Å; H55-N59 VanDerWaalsContact O-CG 3.3Å; H55-N59 PolarHBondContact O-N 3.26Å; H55-N59 PolarHBondContact O-OD1 3.45Å; A56-N59 PolarHBondContact O-N 3.38Å; R57-N59 VanDerWaalsContact C-N 3.34Å; R57-N59 PolarHBondContact O-N 3.13Å; N59-A63 WeakPolarHBondContact O-CB 3.46Å; N59-A63 PolarHBondContact O-N 3.06Å
60Y95.3Very high92.2Very high139 Ų13958.4 Ų58.455%0.54529%0.289SS..Hα-helixtrans-65.2-47.2178.3175-106.2000112.3A56 R57 G58 A63 K64A56-Y60 VanDerWaalsContact O-CB 3.26Å; A56-Y60 WeakPolarHBondContact O-CB 3.42Å; A56-Y60 PolarHBondContact O-N 3.32Å; R57-Y60 WeakPolarHBondContact O-CB 3.34Å; R57-Y60 PolarHBondContact O-N 2.87Å; G58-Y60 VanDerWaalsContact C-N 3.34Å; G58-Y60 PolarHBondContact O-N 3.15Å; Y60-A63 PolarHBondContact O-N 2.79Å; Y60-K64 HydrophobicContact CD1-CD 4.43Å; Y60-K64 HydrophobicContact CE1-CD 4.07Å; Y60-K64 WeakPolarHBondContact O-CG 3.33Å; Y60-K64 PolarHBondContact O-N 3.29Å; Y60-K64 WeakPolarHBondContact OH-CE 3.07Å; Y60-K64 PolarHBondContact OH-NZ 2.96Å
61D97.1Very high92.2Very high55 Ų5561.3 Ų61.329%0.29430%0.298SS..Hα-helixtrans-66.9-40.9-179.7-68.7-23.1000111.6D34 R57 G58 K64D34-D61 HydrophobicContact CB-CB 4.11Å; R57-D61 PolarHBondContact O-N 3.43Å; G58-D61 PolarHBondContact O-N 2.8Å; D61-K64 WeakPolarHBondContact O-CB 3.49Å; D61-K64 PolarHBondContact O-N 3.07Å
62A95.5Very high92.3Very high0 Ų058.1 Ų58.10%028%0.282CS..Hα-helixtrans-66.7-44.617500000111.9M35 G58 K64 R65 G69 A73M35-A62 HydrophobicContact CG-CB 4.3Å; G58-A62 VanDerWaalsContact O-CB 3.24Å; G58-A62 WeakPolarHBondContact O-CB 3.19Å; G58-A62 PolarHBondContact O-N 3.27Å; A62-K64 VanDerWaalsContact C-N 3.26Å; A62-K64 PolarHBondContact O-N 3.36Å; A62-R65 VanDerWaalsContact O-CB 3.28Å; A62-R65 WeakPolarHBondContact O-CB 3.21Å; A62-R65 WeakPolarHBondContact O-CG 3.46Å; A62-R65 PolarHBondContact O-N 3.44Å; A62-G69 CarbonylContact O-C 3.28Å; A62-G69 VanDerWaalsContact O-C 3.28Å; A62-G69 VanDerWaalsContact O-CA 3.23Å; A62-G69 WeakPolarHBondContact O-CA 3.32Å; A62-A73 HydrophobicContact CB-CB 3.86Å
63A92.8Very high92.3Very high47 Ų4750.1 Ų50.139%0.38825%0.247SC..Hα-helixtrans-63.8-30.6178.800000113N59 Y60 R65 G66 A70N59-A63 WeakPolarHBondContact O-CB 3.46Å; N59-A63 PolarHBondContact O-N 3.06Å; Y60-A63 PolarHBondContact O-N 2.79Å; A63-R65 PolarHBondContact O-N 2.67Å; A63-G66 PolarHBondContact O-N 3.44Å; A63-G66 VanDerWaalsContact O-N 3.17Å; A63-A70 HydrophobicContact CB-CB 4.12Å
64K95.9Very high92Very high131 Ų13145.6 Ų45.657%0.5723%0.231SC*.THydrogen-bonded Turntrans-61.7-22.4173.1-84-179.8171.3173.70114.2Y60 D61 A62 G66Y60-K64 HydrophobicContact CD1-CD 4.43Å; Y60-K64 HydrophobicContact CE1-CD 4.07Å; Y60-K64 WeakPolarHBondContact O-CG 3.33Å; Y60-K64 PolarHBondContact O-N 3.29Å; Y60-K64 WeakPolarHBondContact OH-CE 3.07Å; Y60-K64 PolarHBondContact OH-NZ 2.96Å; D61-K64 WeakPolarHBondContact O-CB 3.49Å; D61-K64 PolarHBondContact O-N 3.07Å; A62-K64 VanDerWaalsContact C-N 3.26Å; A62-K64 PolarHBondContact O-N 3.36Å; K64-G66 PolarHBondContact O-N 2.93Å
65R92.8Very high91.6Very high102 Ų10245.9 Ų45.939%0.38524%0.235SC..THydrogen-bonded Turntrans-67.2-27176.9-57.9-62.3-177.3158.5-3.7112E27 D30 D34 A62 A63E27-R65 HydrophobicContact CB-CB 4.18Å; E27-R65 HydrophobicContact CG-CB 4.48Å; E27-R65 VanDerWaalsContact CG-O 3.25Å; E27-R65 WeakPolarHBondContact CG-O 3.26Å; D30-R65 HydrophobicContact CB-CG 4.21Å; D30-R65 IonicContact OD2-NH1 3.67Å; D30-R65 PolarHBondContact OD2-NH1 3.08Å; D34-R65 IonicContact OD1-NH2 2.8Å; D34-R65 PolarHBondContact OD1-NH2 2.78Å; D34-R65 IonicContact OD2-CZ 3.57Å; D34-R65 VanDerWaalsContact OD2-CZ 3.29Å; D34-R65 IonicContact OD2-NE 3.18Å; D34-R65 PolarHBondContact OD2-NE 3.48Å; D34-R65 IonicContact OD2-NH2 2.81Å; D34-R65 PolarHBondContact OD2-NH2 3.45Å; A62-R65 VanDerWaalsContact O-CB 3.28Å; A62-R65 WeakPolarHBondContact O-CB 3.21Å; A62-R65 WeakPolarHBondContact O-CG 3.46Å; A62-R65 PolarHBondContact O-N 3.44Å; A63-R65 PolarHBondContact O-N 2.67Å
66G89.3Confident91.4Very high20 Ų2045.5 Ų45.521%0.20623%0.234CC..  trans126.1-170.5-175.100000111.9E27 A63 K64 G68 G69 A70E27-G66 VanDerWaalsContact OE2-C 3.31Å; E27-G66 WeakPolarHBondContact OE2-CA 3.48Å; A63-G66 PolarHBondContact O-N 3.44Å; A63-G66 VanDerWaalsContact O-N 3.17Å; K64-G66 PolarHBondContact O-N 2.93Å; G66-G68 PolarHBondContact O-N 3.35Å; G66-G69 PolarHBondContact O-N 3.48Å; G66-G69 VanDerWaalsContact O-N 3.14Å; G66-A70 PolarHBondContact O-N 3.47Å
67P87Confident90.9Very high65 Ų6543.7 Ų43.742%0.42222%0.218SC..Hα-helixtrans-53.9-37.2-179.2-2634.7000113.8F24 E27 W71F24-P67 HydrophobicContact CD2-CB 4.38Å; F24-P67 HydrophobicContact CE2-CB 4.44Å; E27-P67 VanDerWaalsContact OE2-CD 3.3Å; E27-P67 WeakPolarHBondContact OE2-CD 3.25Å; P67-W71 WeakPolarHBondContact O-CB 3.38Å; P67-W71 PolarHBondContact O-N 3.35Å
68G86Confident90.2Very high0 Ų042 Ų420%021%0.214CC..Hα-helixtrans-67.1-40.6178.500000113F24 E27 A28 G66 W71 A72F24-G68 VanDerWaalsContact CD2-CA 3.48Å; E27-G68 PolarHBondContact OE2-N 2.96Å; A28-G68 VanDerWaalsContact CA-O 3.27Å; A28-G68 WeakPolarHBondContact CA-O 3.45Å; A28-G68 WeakPolarHBondContact CB-O 3.18Å; G66-G68 PolarHBondContact O-N 3.35Å; G68-W71 WeakPolarHBondContact O-CB 3.41Å; G68-W71 PolarHBondContact O-N 2.96Å; G68-A72 PolarHBondContact O-N 2.88Å
69G92.5Very high89.2Confident0 Ų046.2 Ų46.20%024%0.235CC..Hα-helixtrans-71.8-38178.100000112.9E27 A62 G66 W71 A72 A73E27-G69 VanDerWaalsContact O-CA 3.31Å; E27-G69 WeakPolarHBondContact O-CA 3.22Å; E27-G69 PolarHBondContact O-N 2.89Å; A62-G69 CarbonylContact O-C 3.28Å; A62-G69 VanDerWaalsContact O-C 3.28Å; A62-G69 VanDerWaalsContact O-CA 3.23Å; A62-G69 WeakPolarHBondContact O-CA 3.32Å; G66-G69 PolarHBondContact O-N 3.48Å; G66-G69 VanDerWaalsContact O-N 3.14Å; G69-W71 VanDerWaalsContact C-N 3.34Å; G69-A72 PolarHBondContact O-N 3.28Å; G69-A73 PolarHBondContact O-N 2.98Å
70A90.6Very high88.1Confident11 Ų1148.3 Ų48.39%0.09124%0.239CC..Hα-helixtrans-63.1-40.9172.600000111.9A63 G66 A73 E74 Y160A63-A70 HydrophobicContact CB-CB 4.12Å; G66-A70 PolarHBondContact O-N 3.47Å; A70-A73 PolarHBondContact O-N 2.94Å; A70-E74 PolarHBondContact O-N 3.47Å; A70-E74 VanDerWaalsContact O-N 3.09Å; A70-Y160 HydrophobicContact CB-CD1 3.55Å; A70-Y160 HydrophobicContact CB-CE1 3.38Å; A70-Y160 HydrophobicContact CB-CG 4.33Å
71W88.1Confident86.6Confident77 Ų7747.6 Ų47.629%0.29224%0.244SC..Hα-helixtrans-59.9-47.3171.5174.382.9000112F24 A28 P67 G68 G69 A73 E74 V75 Y160F24-W71 HydrophobicContact CE1-CD2 4.47Å; F24-W71 HydrophobicContact CE1-CE3 4.35Å; F24-W71 HydrophobicContact CE2-CB 4.37Å; F24-W71 HydrophobicContact CZ-CB 3.97Å; F24-W71 HydrophobicContact CZ-CD2 4.06Å; F24-W71 HydrophobicContact CZ-CE3 4.29Å; F24-W71 AromaticContact CZ-CG 3.92Å; F24-W71 HydrophobicContact CZ-CG 3.92Å; A28-W71 HydrophobicContact CB-CE3 3.92Å; A28-W71 HydrophobicContact CB-CZ3 4.06Å; P67-W71 WeakPolarHBondContact O-CB 3.38Å; P67-W71 PolarHBondContact O-N 3.35Å; G68-W71 WeakPolarHBondContact O-CB 3.41Å; G68-W71 PolarHBondContact O-N 2.96Å; G69-W71 VanDerWaalsContact C-N 3.34Å; W71-A73 VanDerWaalsContact C-N 3.32Å; W71-A73 PolarHBondContact O-N 3.32Å; W71-E74 PolarHBondContact O-N 3.33Å; W71-V75 HydrophobicContact CD2-CG2 4.01Å; W71-V75 HydrophobicContact CG-CG2 4.43Å; W71-V75 HydrophobicContact CH2-CG2 4.33Å; W71-V75 HydrophobicContact CZ2-CG2 3.74Å; W71-V75 WeakPolarHBondContact O-CG2 3.31Å; W71-V75 PolarHBondContact O-N 3.2Å; W71-Y160 HydrophobicContact CB-CD2 4.49Å; W71-Y160 HydrophobicContact CB-CG 4.32Å
72A89.8Confident85.2Confident4 Ų446.2 Ų46.23%0.03324%0.235CC..Hα-helixtrans-60-41.8178.700000112A28 G68 G69 V75 I76A28-A72 HydrophobicContact CB-CB 4.31Å; A28-A72 VanDerWaalsContact O-CB 3.28Å; A28-A72 WeakPolarHBondContact O-CB 3.34Å; G68-A72 PolarHBondContact O-N 2.88Å; G69-A72 PolarHBondContact O-N 3.28Å; A72-V75 PolarHBondContact O-N 2.82Å; A72-I76 WeakPolarHBondContact O-CB 3.47Å; A72-I76 WeakPolarHBondContact O-CD1 3.37Å; A72-I76 VanDerWaalsContact O-CG1 3.23Å; A72-I76 WeakPolarHBondContact O-CG1 3.4Å; A72-I76 PolarHBondContact O-N 2.94Å
73A90.8Very high84Confident4 Ų450.1 Ų50.13%0.03326%0.259CS..Hα-helixtrans-59.9-46.9175.100000112M35 A62 G69 A70 W71 I76 S77M35-A73 HydrophobicContact CG-CB 4.37Å; M35-A73 HydrophobicContact SD-CB 3.96Å; A62-A73 HydrophobicContact CB-CB 3.86Å; G69-A73 PolarHBondContact O-N 2.98Å; A70-A73 PolarHBondContact O-N 2.94Å; W71-A73 VanDerWaalsContact C-N 3.32Å; W71-A73 PolarHBondContact O-N 3.32Å; A73-I76 PolarHBondContact O-N 2.89Å; A73-S77 WeakPolarHBondContact O-CB 3.4Å; A73-S77 PolarHBondContact O-N 3.07Å; A73-S77 PolarHBondContact O-OG 2.86Å
74E87.5Confident82.8Confident48 Ų4849.5 Ų49.522%0.22426%0.258CS..Hα-helixtrans-63-45.1179.3-176.664.4-166.500111.9A70 W71 S77 T78 R156 Y160A70-E74 PolarHBondContact O-N 3.47Å; A70-E74 VanDerWaalsContact O-N 3.09Å; W71-E74 PolarHBondContact O-N 3.33Å; E74-S77 PolarHBondContact O-N 2.87Å; E74-T78 WeakPolarHBondContact O-CB 3.47Å; E74-T78 PolarHBondContact O-N 3.39Å; E74-T78 PolarHBondContact O-OG1 3.05Å; E74-R156 WeakPolarHBondContact OE1-CD 3.48Å; E74-R156 IonicContact OE1-NH1 2.71Å; E74-Y160 HydrophobicContact CB-CE2 4.26Å; E74-Y160 HydrophobicContact CG-CE2 4.48Å
75V83.8Confident81.6Confident26 Ų2647.3 Ų47.316%0.15825%0.251CS..Hα-helixtrans-61.9-51.4177.6172.50000110.5W71 A72 S77 T78 M79 L153W71-V75 HydrophobicContact CD2-CG2 4.01Å; W71-V75 HydrophobicContact CG-CG2 4.43Å; W71-V75 HydrophobicContact CH2-CG2 4.33Å; W71-V75 HydrophobicContact CZ2-CG2 3.74Å; W71-V75 WeakPolarHBondContact O-CG2 3.31Å; W71-V75 PolarHBondContact O-N 3.2Å; A72-V75 PolarHBondContact O-N 2.82Å; V75-S77 VanDerWaalsContact C-N 3.32Å; V75-S77 PolarHBondContact O-N 3.38Å; V75-T78 PolarHBondContact O-N 3.32Å; V75-M79 HydrophobicContact CG1-CG 4.37Å; V75-M79 HydrophobicContact CG1-SD 4.27Å; V75-M79 WeakPolarHBondContact O-CG 3.42Å; V75-M79 PolarHBondContact O-N 3.46Å; V75-L153 HydrophobicContact CG2-CD1 4.31Å
76I85.9Confident80.5Confident52 Ų5244.2 Ų44.227%0.26724%0.244SC..Hα-helixtrans-64.6-39-177.7-68.6168.4000111.1A32 M35 A72 A73 T78 M79 R80A32-I76 HydrophobicContact CB-CD1 3.7Å; M35-I76 HydrophobicContact CB-CD1 3.92Å; M35-I76 HydrophobicContact CB-CG2 4.19Å; M35-I76 HydrophobicContact CE-CB 4.24Å; M35-I76 HydrophobicContact CE-CG2 3.97Å; M35-I76 HydrophobicContact CG-CD1 4.08Å; A72-I76 WeakPolarHBondContact O-CB 3.47Å; A72-I76 WeakPolarHBondContact O-CD1 3.37Å; A72-I76 VanDerWaalsContact O-CG1 3.23Å; A72-I76 WeakPolarHBondContact O-CG1 3.4Å; A72-I76 PolarHBondContact O-N 2.94Å; A73-I76 PolarHBondContact O-N 2.89Å; I76-T78 VanDerWaalsContact C-N 3.34Å; I76-T78 PolarHBondContact O-N 3.44Å; I76-M79 PolarHBondContact O-N 3.43Å; I76-R80 PolarHBondContact O-N 2.97Å
77S83.9Confident79.5Confident22 Ų2250.1 Ų50.115%0.15426%0.264CS..Hα-helixtrans-61-44174.8-59.20000111.5H55 A73 E74 V75 M79 R80H55-S77 PolarHBondContact CE1-OG 3.43Å; A73-S77 WeakPolarHBondContact O-CB 3.4Å; A73-S77 PolarHBondContact O-N 3.07Å; A73-S77 PolarHBondContact O-OG 2.86Å; E74-S77 PolarHBondContact O-N 2.87Å; V75-S77 VanDerWaalsContact C-N 3.32Å; V75-S77 PolarHBondContact O-N 3.38Å; S77-M79 VanDerWaalsContact C-N 3.33Å; S77-M79 PolarHBondContact O-N 2.9Å; S77-R80 PolarHBondContact O-N 3.41Å
78T80.6Confident78.7Confident24 Ų2450.8 Ų50.815%0.14727%0.27CS..Hα-helixtrans-65.5-37175.7-58.20000111.6E74 V75 I76 R80 L81 F82 L153E74-T78 WeakPolarHBondContact O-CB 3.47Å; E74-T78 PolarHBondContact O-N 3.39Å; E74-T78 PolarHBondContact O-OG1 3.05Å; V75-T78 PolarHBondContact O-N 3.32Å; I76-T78 VanDerWaalsContact C-N 3.34Å; I76-T78 PolarHBondContact O-N 3.44Å; T78-R80 PolarHBondContact O-N 3.32Å; T78-L81 PolarHBondContact O-N 3.46Å; T78-F82 PolarHBondContact O-N 3.05Å; T78-L153 HydrophobicContact CG2-CD1 4.36Å
79M75.1Confident77.9Confident90 Ų9051.9 Ų51.944%0.44328%0.277SS..Hα-helixtrans-67.8-29.6177.7-72.3-1678300113.3V75 I76 S77 L81 F82 T83V75-M79 HydrophobicContact CG1-CG 4.37Å; V75-M79 HydrophobicContact CG1-SD 4.27Å; V75-M79 WeakPolarHBondContact O-CG 3.42Å; V75-M79 PolarHBondContact O-N 3.46Å; I76-M79 PolarHBondContact O-N 3.43Å; S77-M79 VanDerWaalsContact C-N 3.33Å; S77-M79 PolarHBondContact O-N 2.9Å; M79-L81 VanDerWaalsContact C-N 3.3Å; M79-L81 PolarHBondContact O-N 3.07Å; M79-F82 CarbonylContact O-C 3.58Å; M79-F82 WeakPolarHBondContact O-CB 3.44Å; M79-F82 PolarHBondContact O-N 2.95Å; M79-F82 VanDerWaalsContact O-N 3.11Å; M79-T83 PolarHBondContact O-N 3.1Å; M79-T83 PolarHBondContact O-OG1 3.32Å
80R69.1Low76.8Confident98 Ų9857.2 Ų57.237%0.3731%0.305SS..Hα-helixtrans-57.2-44173.9-73.3171.570.996.1-10.9111.8D51 I76 S77 T78 F82 T83 G84D51-R80 IonicContact OD1-NH2 3.27Å; D51-R80 PolarHBondContact OD1-NH2 3.46Å; I76-R80 PolarHBondContact O-N 2.97Å; S77-R80 PolarHBondContact O-N 3.41Å; T78-R80 PolarHBondContact O-N 3.32Å; R80-F82 VanDerWaalsContact C-N 3.34Å; R80-T83 PolarHBondContact O-N 2.93Å; R80-G84 PolarHBondContact O-N 3.45Å; R80-G84 VanDerWaalsContact O-N 3.15Å
81L65.1Low75.8Confident124 Ų12462 Ų6265%0.64933%0.333SS*.Hα-helixtrans-63.7-42.7175.5-178.267000111T78 M79 G84 I85T78-L81 PolarHBondContact O-N 3.46Å; M79-L81 VanDerWaalsContact C-N 3.3Å; M79-L81 PolarHBondContact O-N 3.07Å; L81-G84 PolarHBondContact O-N 3.07Å; L81-I85 HydrophobicContact CG-CD1 4.29Å; L81-I85 WeakPolarHBondContact O-CG1 3.3Å; L81-I85 PolarHBondContact O-N 3.25Å
82F67.7Low75Confident25 Ų2565.9 Ų65.911%0.1136%0.356CS..Hα-helixtrans-62.6-44.2177.8-176.1-104.2000112.5T78 M79 R80 G84 I85 V86 W99 F102 F103T78-F82 PolarHBondContact O-N 3.05Å; M79-F82 CarbonylContact O-C 3.58Å; M79-F82 WeakPolarHBondContact O-CB 3.44Å; M79-F82 PolarHBondContact O-N 2.95Å; M79-F82 VanDerWaalsContact O-N 3.11Å; R80-F82 VanDerWaalsContact C-N 3.34Å; F82-G84 VanDerWaalsContact C-N 3.3Å; F82-G84 PolarHBondContact O-N 3.02Å; F82-I85 WeakPolarHBondContact O-CB 3.45Å; F82-I85 PolarHBondContact O-N 2.84Å; F82-I85 VanDerWaalsContact O-N 3.13Å; F82-V86 HydrophobicContact CD1-CG2 3.95Å; F82-V86 HydrophobicContact CE1-CG2 3.68Å; F82-V86 HydrophobicContact CZ-CG2 4.02Å; F82-V86 VanDerWaalsContact O-CG2 3.29Å; F82-V86 WeakPolarHBondContact O-CG2 3.22Å; F82-V86 PolarHBondContact O-N 3.2Å; F82-W99 HydrophobicContact CE1-CZ3 4.43Å; F82-W99 HydrophobicContact CE2-CH2 4.25Å; F82-W99 AromaticContact CE2-CZ3 3.8Å; F82-W99 HydrophobicContact CE2-CZ3 3.8Å; F82-W99 HydrophobicContact CZ-CE3 4.48Å; F82-W99 HydrophobicContact CZ-CH2 4.2Å; F82-W99 AromaticContact CZ-CZ3 3.53Å; F82-W99 HydrophobicContact CZ-CZ3 3.53Å; F82-F102 HydrophobicContact CD2-CE1 4.46Å; F82-F102 HydrophobicContact CD2-CZ 4.39Å; F82-F102 HydrophobicContact CE2-CD1 4.23Å; F82-F102 AromaticContact CE2-CE1 3.38Å; F82-F102 HydrophobicContact CE2-CE1 3.38Å; F82-F102 AromaticContact CE2-CZ 3.65Å; F82-F102 HydrophobicContact CE2-CZ 3.65Å; F82-F102 HydrophobicContact CZ-CD1 4.44Å; F82-F102 AromaticContact CZ-CE1 3.84Å; F82-F102 HydrophobicContact CZ-CE1 3.84Å; F82-F103 HydrophobicContact CE1-CE1 4.45Å; F82-F103 HydrophobicContact CE1-CZ 4.22Å; F82-F103 AromaticContact CZ-CE1 3.97Å; F82-F103 HydrophobicContact CZ-CE1 3.97Å; F82-F103 AromaticContact CZ-CZ 3.82Å; F82-F103 HydrophobicContact CZ-CZ 3.82Å
83T70.3Confident73.7Confident82 Ų8268.5 Ų68.550%0.50338%0.383SS..Hα-helixtrans-61-39.2175.8-56.10000111.7M79 R80 V86 F87M79-T83 PolarHBondContact O-N 3.1Å; M79-T83 PolarHBondContact O-OG1 3.32Å; R80-T83 PolarHBondContact O-N 2.93Å; T83-V86 PolarHBondContact O-N 3.26Å; T83-F87 WeakPolarHBondContact O-CB 3.47Å; T83-F87 PolarHBondContact O-N 3.04Å
84G67.5Low72.7Confident35 Ų3571 Ų7136%0.36140%0.398SS..Hα-helixtrans-61.3-43.1173.300000112.5R80 L81 F82 F87 C88R80-G84 PolarHBondContact O-N 3.45Å; R80-G84 VanDerWaalsContact O-N 3.15Å; L81-G84 PolarHBondContact O-N 3.07Å; F82-G84 VanDerWaalsContact C-N 3.3Å; F82-G84 PolarHBondContact O-N 3.02Å; G84-F87 PolarHBondContact O-N 3.36Å; G84-C88 WeakPolarHBondContact O-CB 3.42Å; G84-C88 PolarHBondContact O-N 3.18Å; G84-C88 PolarHBondContact O-SG 2.8Å
85I70.4Confident72Confident84 Ų8472.2 Ų72.243%0.43141%0.409SS..Hα-helixtrans-63.5-44.9174.4-65.6165.3000110.5L81 F82 F87 C88 S89L81-I85 HydrophobicContact CG-CD1 4.29Å; L81-I85 WeakPolarHBondContact O-CG1 3.3Å; L81-I85 PolarHBondContact O-N 3.25Å; F82-I85 WeakPolarHBondContact O-CB 3.45Å; F82-I85 PolarHBondContact O-N 2.84Å; F82-I85 VanDerWaalsContact O-N 3.13Å; I85-F87 VanDerWaalsContact C-N 3.32Å; I85-F87 PolarHBondContact O-N 3.48Å; I85-C88 PolarHBondContact O-N 2.99Å; I85-S89 VanDerWaalsContact O-CB 3.26Å; I85-S89 WeakPolarHBondContact O-CB 3.39Å; I85-S89 PolarHBondContact O-N 3.37Å; I85-S89 PolarHBondContact O-OG 3.46Å
86V69.4Low71.2Confident38 Ų3875.1 Ų75.123%0.2343%0.431CS..Hα-helixtrans-55.4-48.5175.8175.50000111.2F82 T83 S89 L90 W99F82-V86 HydrophobicContact CD1-CG2 3.95Å; F82-V86 HydrophobicContact CE1-CG2 3.68Å; F82-V86 HydrophobicContact CZ-CG2 4.02Å; F82-V86 VanDerWaalsContact O-CG2 3.29Å; F82-V86 WeakPolarHBondContact O-CG2 3.22Å; F82-V86 PolarHBondContact O-N 3.2Å; T83-V86 PolarHBondContact O-N 3.26Å; V86-S89 PolarHBondContact O-N 3.18Å; V86-L90 HydrophobicContact CG1-CD1 4.02Å; V86-L90 HydrophobicContact CG1-CG 4.49Å; V86-L90 VanDerWaalsContact O-CG 3.3Å; V86-L90 WeakPolarHBondContact O-CG 3.48Å; V86-L90 PolarHBondContact O-N 2.95Å; V86-W99 HydrophobicContact CB-CH2 3.97Å; V86-W99 HydrophobicContact CB-CZ2 4.01Å; V86-W99 HydrophobicContact CG1-CH2 4.49Å; V86-W99 HydrophobicContact CG1-CZ2 4.24Å; V86-W99 HydrophobicContact CG2-CH2 3.22Å; V86-W99 HydrophobicContact CG2-CZ2 3.77Å; V86-W99 HydrophobicContact CG2-CZ3 3.75Å
87F68Low70.9Confident143 Ų14379.8 Ų79.863%0.62745%0.451SS*.Hα-helixtrans-66.8-42.8-178.8-147.2-91.6000112.1T83 G84 I85 S89 L90 V91T83-F87 WeakPolarHBondContact O-CB 3.47Å; T83-F87 PolarHBondContact O-N 3.04Å; G84-F87 PolarHBondContact O-N 3.36Å; I85-F87 VanDerWaalsContact C-N 3.32Å; I85-F87 PolarHBondContact O-N 3.48Å; F87-S89 VanDerWaalsContact C-N 3.34Å; F87-S89 PolarHBondContact O-N 2.86Å; F87-L90 PolarHBondContact O-N 3.16Å; F87-V91 HydrophobicContact CD1-CG2 4.28Å; F87-V91 HydrophobicContact CE1-CG2 4.44Å; F87-V91 VanDerWaalsContact O-CG2 3.32Å; F87-V91 WeakPolarHBondContact O-CG2 3.39Å; F87-V91 PolarHBondContact O-N 2.91Å
88C70.4Confident70.7Confident80 Ų8081.4 Ų81.454%0.54146%0.463SS..Hα-helixtrans-61.9-42174.7-67.90000111.6G84 I85 V91 M92G84-C88 WeakPolarHBondContact O-CB 3.42Å; G84-C88 PolarHBondContact O-N 3.18Å; G84-C88 PolarHBondContact O-SG 2.8Å; I85-C88 PolarHBondContact O-N 2.99Å; C88-V91 PolarHBondContact O-N 2.8Å; C88-M92 WeakPolarHBondContact O-CB 3.44Å; C88-M92 WeakPolarHBondContact O-CG 3.34Å; C88-M92 PolarHBondContact O-N 3.22Å
89S70.2Confident70.7Confident22 Ų2282.2 Ų82.215%0.15446%0.463CS..Hα-helixtrans-64.1-40.2176.7-64.80000112.4I85 V86 F87 M92 G93 V94I85-S89 VanDerWaalsContact O-CB 3.26Å; I85-S89 WeakPolarHBondContact O-CB 3.39Å; I85-S89 PolarHBondContact O-N 3.37Å; I85-S89 PolarHBondContact O-OG 3.46Å; V86-S89 PolarHBondContact O-N 3.18Å; F87-S89 VanDerWaalsContact C-N 3.34Å; F87-S89 PolarHBondContact O-N 2.86Å; S89-M92 PolarHBondContact O-N 3.02Å; S89-G93 PolarHBondContact O-N 2.97Å; S89-G93 VanDerWaalsContact O-N 3.17Å; S89-V94 VanDerWaalsContact O-CB 3.28Å; S89-V94 WeakPolarHBondContact O-CB 3.4Å; S89-V94 WeakPolarHBondContact O-CG2 3.41Å; S89-V94 PolarHBondContact O-N 3.3Å
90L68.3Low71.2Confident113 Ų11387.1 Ų87.159%0.59248%0.477SS*.Hα-helixtrans-64-41.7174.5-73.1169.1000111.6V86 F87 G93V86-L90 HydrophobicContact CG1-CD1 4.02Å; V86-L90 HydrophobicContact CG1-CG 4.49Å; V86-L90 VanDerWaalsContact O-CG 3.3Å; V86-L90 WeakPolarHBondContact O-CG 3.48Å; V86-L90 PolarHBondContact O-N 2.95Å; F87-L90 PolarHBondContact O-N 3.16Å; L90-G93 PolarHBondContact O-N 2.81Å
91V70.1Confident72.1Confident111 Ų11184.9 Ų84.967%0.67348%0.476SS*.Hα-helixtrans-65.2-38.2175.8171.60000111.8F87 C88 G93F87-V91 HydrophobicContact CD1-CG2 4.28Å; F87-V91 HydrophobicContact CE1-CG2 4.44Å; F87-V91 VanDerWaalsContact O-CG2 3.32Å; F87-V91 WeakPolarHBondContact O-CG2 3.39Å; F87-V91 PolarHBondContact O-N 2.91Å; C88-V91 PolarHBondContact O-N 2.8Å; V91-G93 PolarHBondContact O-N 3.07Å
92M70.4Confident73.3Confident158 Ų15880.5 Ų80.578%0.77845%0.452SS*.THydrogen-bonded Turntrans-81.13.4178.7-65-65.8-70.900113.6C88 S89 V94C88-M92 WeakPolarHBondContact O-CB 3.44Å; C88-M92 WeakPolarHBondContact O-CG 3.34Å; C88-M92 PolarHBondContact O-N 3.22Å; S89-M92 PolarHBondContact O-N 3.02Å; M92-V94 PolarHBondContact O-N 3.4Å
93G63.1Low74.2Confident59 Ų5984.2 Ų84.261%0.60847%0.468SS*.THydrogen-bonded Turntrans70.127.4178.200000114.5S89 L90 V91 T95S89-G93 PolarHBondContact O-N 2.97Å; S89-G93 VanDerWaalsContact O-N 3.17Å; L90-G93 PolarHBondContact O-N 2.81Å; V91-G93 PolarHBondContact O-N 3.07Å; G93-T95 PolarHBondContact O-N 3.41Å
94V70.4Confident75.1Confident56 Ų5686.7 Ų86.734%0.33947%0.472SS..  trans-58.6127.9174.3170.90000109.6S89 M92S89-V94 VanDerWaalsContact O-CB 3.28Å; S89-V94 WeakPolarHBondContact O-CB 3.4Å; S89-V94 WeakPolarHBondContact O-CG2 3.41Å; S89-V94 PolarHBondContact O-N 3.3Å; M92-V94 PolarHBondContact O-N 3.4Å
95T72.1Confident76.4Confident74 Ų7486.8 Ų86.845%0.45446%0.463SS..  trans-66.4150.5-174.162.20000112.1G93 E97 S98 W99G93-T95 PolarHBondContact O-N 3.41Å; T95-E97 PolarHBondContact O-N 3.19Å; T95-S98 WeakPolarHBondContact O-CB 3.45Å; T95-S98 PolarHBondContact O-N 3.4Å; T95-S98 PolarHBondContact OG1-N 2.82Å; T95-S98 PolarHBondContact OG1-OG 2.86Å; T95-W99 PolarHBondContact O-N 3.36Å
96S67Low77.4Confident88 Ų8883 Ų8362%0.61545%0.445SS*.Hα-helixtrans-58.9-25.9172.658.30000112.7W99 R100S96-W99 PolarHBondContact O-N 3.29Å; S96-R100 WeakPolarHBondContact O-CG 3.42Å; S96-R100 PolarHBondContact O-N 3.48Å; S96-R100 VanDerWaalsContact O-N 3.08Å
97E78.9Confident78.3Confident149 Ų14987.4 Ų87.470%0.69647%0.466SS*.Hα-helixtrans-65.2-40.3173.6-67.4-172.7156.500112.7T95 W99 R100 S101T95-E97 PolarHBondContact O-N 3.19Å; E97-W99 VanDerWaalsContact C-N 3.32Å; E97-W99 PolarHBondContact O-N 3.17Å; E97-R100 PolarHBondContact O-N 3.16Å; E97-S101 PolarHBondContact O-N 3.33Å
98S81Confident79.6Confident57 Ų5783.8 Ų83.840%0.39945%0.451SS..Hα-helixtrans-65.6-35.5177.4-56.50000112T95 S101 F102T95-S98 WeakPolarHBondContact O-CB 3.45Å; T95-S98 PolarHBondContact O-N 3.4Å; T95-S98 PolarHBondContact OG1-N 2.82Å; T95-S98 PolarHBondContact OG1-OG 2.86Å; S98-S101 PolarHBondContact O-OG 2.86Å; S98-F102 WeakPolarHBondContact O-CB 3.33Å; S98-F102 PolarHBondContact O-N 2.85Å
99W81.1Confident80.8Confident40 Ų4080 Ų8015%0.15243%0.425CS..Hα-helixtrans-68.6-42.3173.3-81.4105.3000112.3F82 V86 T95 S96 E97 S101 F102 F103F82-W99 HydrophobicContact CE1-CZ3 4.43Å; F82-W99 HydrophobicContact CE2-CH2 4.25Å; F82-W99 AromaticContact CE2-CZ3 3.8Å; F82-W99 HydrophobicContact CE2-CZ3 3.8Å; F82-W99 HydrophobicContact CZ-CE3 4.48Å; F82-W99 HydrophobicContact CZ-CH2 4.2Å; F82-W99 AromaticContact CZ-CZ3 3.53Å; F82-W99 HydrophobicContact CZ-CZ3 3.53Å; V86-W99 HydrophobicContact CB-CH2 3.97Å; V86-W99 HydrophobicContact CB-CZ2 4.01Å; V86-W99 HydrophobicContact CG1-CH2 4.49Å; V86-W99 HydrophobicContact CG1-CZ2 4.24Å; V86-W99 HydrophobicContact CG2-CH2 3.22Å; V86-W99 HydrophobicContact CG2-CZ2 3.77Å; V86-W99 HydrophobicContact CG2-CZ3 3.75Å; T95-W99 PolarHBondContact O-N 3.36Å; S96-W99 PolarHBondContact O-N 3.29Å; E97-W99 VanDerWaalsContact C-N 3.32Å; E97-W99 PolarHBondContact O-N 3.17Å; W99-S101 VanDerWaalsContact C-N 3.34Å; W99-S101 PolarHBondContact O-N 3.37Å; W99-F102 HydrophobicContact CE3-CD1 4.45Å; W99-F102 HydrophobicContact CZ3-CD1 4.27Å; W99-F102 PolarHBondContact O-N 3.31Å; W99-F103 HydrophobicContact CE3-CD2 4.39Å; W99-F103 AromaticContact CE3-CE2 3.71Å; W99-F103 HydrophobicContact CE3-CE2 3.71Å; W99-F103 HydrophobicContact CE3-CZ 4.19Å; W99-F103 HydrophobicContact CZ3-CE2 4.41Å; W99-F103 HydrophobicContact CZ3-CZ 4.47Å; W99-F103 WeakPolarHBondContact O-CD2 3.31Å; W99-F103 PolarHBondContact O-N 3.47Å
100R84.2Confident81.7Confident193 Ų19382.2 Ų82.273%0.72844%0.438SS*.Hα-helixtrans-61.8-41.9176.4-75.3179178.6-158.90.8111.8S96 E97 K104S96-R100 WeakPolarHBondContact O-CG 3.42Å; S96-R100 PolarHBondContact O-N 3.48Å; S96-R100 VanDerWaalsContact O-N 3.08Å; E97-R100 PolarHBondContact O-N 3.16Å; R100-K104 WeakPolarHBondContact O-CB 3.47Å; R100-K104 PolarHBondContact O-N 3.08Å
101S88.2Confident82.7Confident51 Ų5178.6 Ų78.636%0.35743%0.428SS..Hα-helixtrans-64.2-48176.168.80000110.8E97 S98 W99 F103 K104 E105E97-S101 PolarHBondContact O-N 3.33Å; S98-S101 PolarHBondContact O-OG 2.86Å; W99-S101 VanDerWaalsContact C-N 3.34Å; W99-S101 PolarHBondContact O-N 3.37Å; S101-F103 PolarHBondContact O-N 3.19Å; S101-K104 WeakPolarHBondContact O-CB 3.37Å; S101-K104 PolarHBondContact O-N 3.06Å; S101-K104 VanDerWaalsContact O-N 3.1Å; S101-E105 WeakPolarHBondContact O-CG 3.42Å; S101-E105 PolarHBondContact O-N 2.9Å
102F89.8Confident83.8Confident33 Ų3373.4 Ų73.415%0.14540%0.397CS..Hα-helixtrans-53.7-49.3177.1176.8-87.8000112.6F82 S98 W99 K104 E105 A106 P145 G146 W149F82-F102 HydrophobicContact CD2-CE1 4.46Å; F82-F102 HydrophobicContact CD2-CZ 4.39Å; F82-F102 HydrophobicContact CE2-CD1 4.23Å; F82-F102 AromaticContact CE2-CE1 3.38Å; F82-F102 HydrophobicContact CE2-CE1 3.38Å; F82-F102 AromaticContact CE2-CZ 3.65Å; F82-F102 HydrophobicContact CE2-CZ 3.65Å; F82-F102 HydrophobicContact CZ-CD1 4.44Å; F82-F102 AromaticContact CZ-CE1 3.84Å; F82-F102 HydrophobicContact CZ-CE1 3.84Å; S98-F102 WeakPolarHBondContact O-CB 3.33Å; S98-F102 PolarHBondContact O-N 2.85Å; W99-F102 HydrophobicContact CE3-CD1 4.45Å; W99-F102 HydrophobicContact CZ3-CD1 4.27Å; W99-F102 PolarHBondContact O-N 3.31Å; F102-K104 PolarHBondContact O-N 2.93Å; F102-E105 PolarHBondContact O-N 3.32Å; F102-A106 WeakPolarHBondContact O-CB 3.36Å; F102-A106 PolarHBondContact O-N 3.35Å; F102-P145 HydrophobicContact CD2-CB 4.33Å; F102-P145 HydrophobicContact CE2-CB 4.47Å; F102-G146 WeakPolarHBondContact O-CA 3.3Å; F102-W149 HydrophobicContact CE2-CB 4.37Å; F102-W149 HydrophobicContact CZ-CB 4Å; F102-W149 HydrophobicContact CZ-CD2 4.33Å; F102-W149 HydrophobicContact CZ-CG 4.06Å
103F86.8Confident84.8Confident102 Ų10266.7 Ų66.745%0.44736%0.363SS..Hα-helixtrans-67.1-36.4179.3-75.5-64.1000112.6F82 W99 S101 A106 L107F82-F103 HydrophobicContact CE1-CE1 4.45Å; F82-F103 HydrophobicContact CE1-CZ 4.22Å; F82-F103 AromaticContact CZ-CE1 3.97Å; F82-F103 HydrophobicContact CZ-CE1 3.97Å; F82-F103 AromaticContact CZ-CZ 3.82Å; F82-F103 HydrophobicContact CZ-CZ 3.82Å; W99-F103 HydrophobicContact CE3-CD2 4.39Å; W99-F103 AromaticContact CE3-CE2 3.71Å; W99-F103 HydrophobicContact CE3-CE2 3.71Å; W99-F103 HydrophobicContact CE3-CZ 4.19Å; W99-F103 HydrophobicContact CZ3-CE2 4.41Å; W99-F103 HydrophobicContact CZ3-CZ 4.47Å; W99-F103 WeakPolarHBondContact O-CD2 3.31Å; W99-F103 PolarHBondContact O-N 3.47Å; S101-F103 PolarHBondContact O-N 3.19Å; F103-A106 PolarHBondContact O-N 3.06Å; F103-L107 WeakPolarHBondContact O-CG 3.45Å; F103-L107 PolarHBondContact O-N 3.15Å
104K90.3Very high85.8Confident135 Ų13565.8 Ų65.859%0.58735%0.354SS*.Hα-helixtrans-62.1-46.3174-178.5-176.4176.4-174.60111.1R100 S101 F102 A106 L107 Q108R100-K104 WeakPolarHBondContact O-CB 3.47Å; R100-K104 PolarHBondContact O-N 3.08Å; S101-K104 WeakPolarHBondContact O-CB 3.37Å; S101-K104 PolarHBondContact O-N 3.06Å; S101-K104 VanDerWaalsContact O-N 3.1Å; F102-K104 PolarHBondContact O-N 2.93Å; K104-A106 VanDerWaalsContact C-N 3.34Å; K104-L107 PolarHBondContact O-N 3.47Å; K104-Q108 VanDerWaalsContact O-CG 3.32Å; K104-Q108 WeakPolarHBondContact O-CG 2.95Å; K104-Q108 PolarHBondContact O-N 3.47Å
105E95.2Very high86.6Confident36 Ų3669.1 Ų69.117%0.16836%0.36CS..Hα-helixtrans-62.7-41.2176.3-65.8166.8-158.300111.6S101 F102 Q108 G109 R143 G144 P145 G146S101-E105 WeakPolarHBondContact O-CG 3.42Å; S101-E105 PolarHBondContact O-N 2.9Å; F102-E105 PolarHBondContact O-N 3.32Å; E105-Q108 PolarHBondContact O-N 3.3Å; E105-G109 PolarHBondContact O-N 3.35Å; E105-R143 HydrophobicContact CB-CB 4.12Å; E105-R143 VanDerWaalsContact CD-O 3.31Å; E105-R143 HydrophobicContact CG-CB 4.5Å; E105-R143 WeakPolarHBondContact CG-O 3.17Å; E105-G144 WeakPolarHBondContact OE2-CA 3.14Å; E105-P145 VanDerWaalsContact OE2-CD 3.25Å; E105-P145 WeakPolarHBondContact OE2-CD 3.32Å; E105-G146 PolarHBondContact OE2-N 3.3Å; E105-G146 VanDerWaalsContact OE2-N 3.09Å
106A89.5Confident87.3Confident6 Ų665.8 Ų65.85%0.0534%0.34CS..Hα-helixtrans-61.9-46.8176.100000111.5F102 F103 K104 Q108 G109 V110 G146 W149 A150F102-A106 WeakPolarHBondContact O-CB 3.36Å; F102-A106 PolarHBondContact O-N 3.35Å; F103-A106 PolarHBondContact O-N 3.06Å; K104-A106 VanDerWaalsContact C-N 3.34Å; A106-Q108 VanDerWaalsContact C-N 3.32Å; A106-Q108 PolarHBondContact O-N 3.38Å; A106-G109 PolarHBondContact O-N 3.06Å; A106-V110 WeakPolarHBondContact O-CG2 3.24Å; A106-V110 PolarHBondContact O-N 3.37Å; A106-G146 VanDerWaalsContact CA-C 3.46Å; A106-G146 VanDerWaalsContact CA-O 3.3Å; A106-G146 WeakPolarHBondContact CA-O 3.37Å; A106-G146 WeakPolarHBondContact CB-O 3.49Å; A106-W149 HydrophobicContact CB-CE3 4.24Å; A106-A150 HydrophobicContact CB-CB 4.45Å; A106-A150 WeakPolarHBondContact O-CB 3.35Å
107L89.3Confident87.8Confident130 Ų13063.4 Ų63.468%0.68132%0.318SS*.Hα-helixtrans-61.1-40.9175.7-74.1171000112.1F103 K104 V110 G111F103-L107 WeakPolarHBondContact O-CG 3.45Å; F103-L107 PolarHBondContact O-N 3.15Å; K104-L107 PolarHBondContact O-N 3.47Å; L107-V110 PolarHBondContact O-N 3.48Å; L107-G111 PolarHBondContact O-N 2.85Å
108Q96.3Very high87.8Confident66 Ų6663.3 Ų63.331%0.30831%0.312SS..Hα-helixtrans-63.1-44.7174.2-72.8177.1-14.400111.6K104 E105 A106 V110 G111 D112 R143K104-Q108 VanDerWaalsContact O-CG 3.32Å; K104-Q108 WeakPolarHBondContact O-CG 2.95Å; K104-Q108 PolarHBondContact O-N 3.47Å; E105-Q108 PolarHBondContact O-N 3.3Å; A106-Q108 VanDerWaalsContact C-N 3.32Å; A106-Q108 PolarHBondContact O-N 3.38Å; Q108-V110 PolarHBondContact O-N 3.21Å; Q108-G111 CarbonylContact O-C 3.57Å; Q108-G111 WeakPolarHBondContact O-CA 3.28Å; Q108-G111 PolarHBondContact O-N 3.3Å; Q108-D112 PolarHBondContact O-N 3.18Å; Q108-R143 HydrophobicContact CB-CG 3.88Å
109G94.3Very high87.9Confident0 Ų061.7 Ų61.70%030%0.298CS..Hα-helixtrans-61.8-39.9176.400000112.9E105 A106 G111 D112 M113E105-G109 PolarHBondContact O-N 3.35Å; A106-G109 PolarHBondContact O-N 3.06Å; G109-G111 VanDerWaalsContact C-N 3.29Å; G109-G111 PolarHBondContact O-N 3.49Å; G109-D112 PolarHBondContact O-N 2.97Å; G109-M113 WeakPolarHBondContact O-CB 3.42Å; G109-M113 VanDerWaalsContact O-CG 3.22Å; G109-M113 WeakPolarHBondContact O-CG 3.48Å; G109-M113 PolarHBondContact O-N 2.98Å
110V89.2Confident87.7Confident70 Ų7060.5 Ų60.542%0.42430%0.295SS..Hα-helixtrans-58.4-44.3170.5172.40000110.5A106 L107 Q108 M113 G114 A150 I154A106-V110 WeakPolarHBondContact O-CG2 3.24Å; A106-V110 PolarHBondContact O-N 3.37Å; L107-V110 PolarHBondContact O-N 3.48Å; Q108-V110 PolarHBondContact O-N 3.21Å; V110-M113 PolarHBondContact O-N 3.29Å; V110-G114 PolarHBondContact O-N 2.84Å; V110-A150 HydrophobicContact CG2-CB 3.9Å; V110-I154 HydrophobicContact CB-CD1 4.23Å; V110-I154 HydrophobicContact CG1-CD1 4.2Å; V110-I154 HydrophobicContact CG2-CD1 4.03Å
111G88.8Confident87Confident37 Ų3754 Ų5438%0.38127%0.273SS..Hα-helixtrans-62.8-42.4177.100000113.4L107 Q108 G109 G114 R115L107-G111 PolarHBondContact O-N 2.85Å; Q108-G111 CarbonylContact O-C 3.57Å; Q108-G111 WeakPolarHBondContact O-CA 3.28Å; Q108-G111 PolarHBondContact O-N 3.3Å; G109-G111 VanDerWaalsContact C-N 3.29Å; G109-G111 PolarHBondContact O-N 3.49Å; G111-G114 PolarHBondContact O-N 3.18Å; G111-R115 PolarHBondContact O-N 3.02Å
112D94.5Very high86.3Confident2 Ų255.8 Ų55.81%0.01128%0.278CS..Hα-helixtrans-67.5-41.1178.3-67-35.5000111.6Q108 G109 G114 R115 A116 D139 A140 R143Q108-D112 PolarHBondContact O-N 3.18Å; G109-D112 PolarHBondContact O-N 2.97Å; D112-G114 PolarHBondContact O-N 2.86Å; D112-R115 PolarHBondContact O-N 3.41Å; D112-R115 IonicContact OD1-CZ 3.17Å; D112-R115 IonicContact OD1-NH1 2.67Å; D112-R115 PolarHBondContact OD1-NH1 3.48Å; D112-R115 IonicContact OD1-NH2 3.37Å; D112-A116 PolarHBondContact O-N 2.75Å; D112-D139 HydrophobicContact CB-CB 3.83Å; D112-A140 HydrophobicContact CB-CB 4.46Å; D112-R143 IonicContact OD1-NH2 2.98Å; D112-R143 PolarHBondContact OD1-NH2 2.96Å; D112-R143 IonicContact OD2-CZ 2.67Å; D112-R143 VanDerWaalsContact OD2-CZ 3.27Å; D112-R143 IonicContact OD2-NE 2.91Å; D112-R143 PolarHBondContact OD2-NE 3.08Å; D112-R143 IonicContact OD2-NH2 3.83Å; D112-R143 PolarHBondContact OD2-NH2 3.49Å
113M90.7Very high85.2Confident16 Ų1654.8 Ų54.88%0.07928%0.275CS..Hα-helixtrans-61.8-42.6171.7-68.7-65.5-71.700111.7G109 V110 A116 Y117 A140 A151 I154G109-M113 WeakPolarHBondContact O-CB 3.42Å; G109-M113 VanDerWaalsContact O-CG 3.22Å; G109-M113 WeakPolarHBondContact O-CG 3.48Å; G109-M113 PolarHBondContact O-N 2.98Å; V110-M113 PolarHBondContact O-N 3.29Å; M113-A116 PolarHBondContact O-N 3.3Å; M113-Y117 WeakPolarHBondContact O-CB 3.28Å; M113-Y117 PolarHBondContact O-N 2.93Å; M113-A140 HydrophobicContact CG-CB 4.18Å; M113-A140 HydrophobicContact SD-CB 4.45Å; M113-A151 HydrophobicContact CG-CB 4.37Å; M113-A151 HydrophobicContact SD-CB 4.04Å; M113-I154 HydrophobicContact CB-CD1 3.72Å; M113-I154 HydrophobicContact CB-CG2 4.35Å; M113-I154 HydrophobicContact CE-CB 4.12Å; M113-I154 HydrophobicContact CE-CG2 3.86Å; M113-I154 HydrophobicContact CG-CD1 4.04Å
114G83.9Confident84.1Confident40 Ų4057.9 Ų57.941%0.41230%0.296SS..Hα-helixtrans-62.4-41.2175.800000112.7V110 G111 D112 Y117 W118V110-G114 PolarHBondContact O-N 2.84Å; G111-G114 PolarHBondContact O-N 3.18Å; D112-G114 PolarHBondContact O-N 2.86Å; G114-Y117 PolarHBondContact O-N 3.31Å; G114-W118 WeakPolarHBondContact O-CB 3.4Å; G114-W118 PolarHBondContact O-N 3.37Å
115R87.9Confident82.8Confident126 Ų12655 Ų5548%0.47529%0.285SS..Hα-helixtrans-63.8-45175.6-169.9-171.9-58.2118.19.5111.7G111 D112 Y117 W118 D119G111-R115 PolarHBondContact O-N 3.02Å; D112-R115 PolarHBondContact O-N 3.41Å; D112-R115 IonicContact OD1-CZ 3.17Å; D112-R115 IonicContact OD1-NH1 2.67Å; D112-R115 PolarHBondContact OD1-NH1 3.48Å; D112-R115 IonicContact OD1-NH2 3.37Å; R115-Y117 VanDerWaalsContact C-N 3.31Å; R115-Y117 PolarHBondContact O-N 3.39Å; R115-W118 WeakPolarHBondContact O-CB 3.44Å; R115-W118 PolarHBondContact O-N 3.35Å; R115-D119 PolarHBondContact O-N 3.39Å
116A86.9Confident81.3Confident4 Ų461.8 Ų61.83%0.03332%0.317CS..Hα-helixtrans-61.5-40.917600000112D112 M113 D119 I120 L132D112-A116 PolarHBondContact O-N 2.75Å; M113-A116 PolarHBondContact O-N 3.3Å; A116-D119 PolarHBondContact O-N 2.93Å; A116-I120 WeakPolarHBondContact O-CG1 3.28Å; A116-I120 PolarHBondContact O-N 2.81Å; A116-L132 WeakPolarHBondContact CB-O 3.28Å
117Y77.4Confident80.4Confident38 Ų3866.9 Ų66.915%0.14934%0.343CS..Hα-helixtrans-64.1-42.3175.1-163.5-90.8000112.2M113 G114 R115 D119 I120 M121 I165 F170M113-Y117 WeakPolarHBondContact O-CB 3.28Å; M113-Y117 PolarHBondContact O-N 2.93Å; G114-Y117 PolarHBondContact O-N 3.31Å; R115-Y117 VanDerWaalsContact C-N 3.31Å; R115-Y117 PolarHBondContact O-N 3.39Å; Y117-D119 VanDerWaalsContact C-N 3.3Å; Y117-D119 PolarHBondContact O-N 3.39Å; Y117-I120 WeakPolarHBondContact O-CB 3.4Å; Y117-I120 PolarHBondContact O-N 3.11Å; Y117-I120 VanDerWaalsContact O-N 3.13Å; Y117-M121 HydrophobicContact CD1-CE 4.02Å; Y117-M121 HydrophobicContact CD1-CG 4.16Å; Y117-M121 HydrophobicContact CD1-SD 4.02Å; Y117-M121 HydrophobicContact CE1-CE 4.34Å; Y117-M121 HydrophobicContact CE1-CG 3.95Å; Y117-M121 HydrophobicContact CE1-SD 3.74Å; Y117-M121 WeakPolarHBondContact O-CG 3.26Å; Y117-M121 PolarHBondContact O-N 2.83Å; Y117-M121 VanDerWaalsContact O-N 3.07Å; Y117-I165 HydrophobicContact CE1-CD1 4.28Å; Y117-I165 HydrophobicContact CE1-CG2 3.76Å; Y117-I165 HydrophobicContact CE2-CD1 4.37Å; Y117-I165 WeakPolarHBondContact OH-CG2 3.4Å; Y117-F170 HydrophobicContact CE1-CE2 4Å; Y117-F170 HydrophobicContact CE1-CZ 4.14Å; Y117-F170 VanDerWaalsContact OH-CE2 3.28Å; Y117-F170 WeakPolarHBondContact OH-CE2 3.46Å; Y117-F170 WeakPolarHBondContact OH-CZ 3.43Å
118W78.9Confident79.7Confident148 Ų14860.7 Ų60.756%0.56131%0.311SS*.Hα-helixtrans-59.6-41174.1-174.8-91.1000112.6G114 R115 I120 M121 I122G114-W118 WeakPolarHBondContact O-CB 3.4Å; G114-W118 PolarHBondContact O-N 3.37Å; R115-W118 WeakPolarHBondContact O-CB 3.44Å; R115-W118 PolarHBondContact O-N 3.35Å; W118-I120 VanDerWaalsContact C-N 3.31Å; W118-I120 PolarHBondContact O-N 2.72Å; W118-M121 HydrophobicContact CB-CE 4.24Å; W118-M121 HydrophobicContact CD2-CE 3.98Å; W118-M121 HydrophobicContact CE3-CE 3.29Å; W118-M121 HydrophobicContact CG-CE 4.41Å; W118-M121 HydrophobicContact CZ3-CE 3.88Å; W118-M121 WeakPolarHBondContact O-CB 3.2Å; W118-M121 PolarHBondContact O-N 3.13Å; W118-M121 VanDerWaalsContact O-N 3.13Å; W118-I122 HydrophobicContact CZ2-CD1 3.92Å; W118-I122 PolarHBondContact O-N 3.01Å
119D82.7Confident78.9Confident22 Ų2259.1 Ų59.112%0.11830%0.304CS..Hα-helixtrans-66.4-33.6175-74.6-12.2000112.3R115 A116 Y117 M121 I122 S123 L132 R135 Y208R115-D119 PolarHBondContact O-N 3.39Å; A116-D119 PolarHBondContact O-N 2.93Å; Y117-D119 VanDerWaalsContact C-N 3.3Å; Y117-D119 PolarHBondContact O-N 3.39Å; D119-M121 VanDerWaalsContact C-N 3.27Å; D119-M121 PolarHBondContact O-N 3.03Å; D119-I122 PolarHBondContact O-N 3.48Å; D119-S123 WeakPolarHBondContact O-CA 3.11Å; D119-S123 WeakPolarHBondContact O-CB 3.4Å; D119-S123 PolarHBondContact O-N 2.87Å; D119-S123 PolarHBondContact O-OG 3.34Å; D119-S123 VanDerWaalsContact O-OG 3.05Å; D119-L132 HydrophobicContact CB-CD1 4.4Å; D119-L132 HydrophobicContact CB-CD2 3.97Å; D119-R135 IonicContact OD2-CZ 3.2Å; D119-R135 VanDerWaalsContact OD2-CZ 3.24Å; D119-R135 IonicContact OD2-NH1 2.65Å; D119-R135 PolarHBondContact OD2-NH1 3.41Å; D119-R135 IonicContact OD2-NH2 3.24Å; D119-R135 PolarHBondContact OD2-NH2 3.03Å; D119-Y208 HydrophobicContact CB-CD1 3.95Å; D119-Y208 HydrophobicContact CB-CE1 4.1Å
120I76.8Confident78.6Confident15 Ų1563.9 Ų63.98%0.07732%0.322CS..Hα-helixtrans-59.2-45.1171.2-68.4167.2000109.4A116 Y117 W118 I122 S123 N129 L132 Y133A116-I120 WeakPolarHBondContact O-CG1 3.28Å; A116-I120 PolarHBondContact O-N 2.81Å; Y117-I120 WeakPolarHBondContact O-CB 3.4Å; Y117-I120 PolarHBondContact O-N 3.11Å; Y117-I120 VanDerWaalsContact O-N 3.13Å; W118-I120 VanDerWaalsContact C-N 3.31Å; W118-I120 PolarHBondContact O-N 2.72Å; I120-I122 PolarHBondContact O-N 2.96Å; I120-S123 PolarHBondContact O-OG 2.97Å; I120-N129 WeakPolarHBondContact CG2-OD1 3.39Å; I120-L132 HydrophobicContact CB-CD1 4.11Å; I120-L132 HydrophobicContact CD1-CB 3.85Å; I120-L132 HydrophobicContact CG1-CB 3.41Å; I120-L132 VanDerWaalsContact CG1-CB 3.41Å; I120-L132 HydrophobicContact CG1-CD1 3.39Å; I120-L132 HydrophobicContact CG1-CG 4.01Å; I120-Y133 HydrophobicContact CD1-CD1 3.69Å; I120-Y133 HydrophobicContact CD1-CE1 3.32Å; I120-Y133 HydrophobicContact CD1-CG 4.47Å
121M70.6Confident78.5Confident56 Ų5661 Ų6128%0.27630%0.304SS..Hα-helixtrans-65.1-38.1-179.3-65.5-168.8-66.200113.3Y117 W118 D119 L169 F170Y117-M121 HydrophobicContact CD1-CE 4.02Å; Y117-M121 HydrophobicContact CD1-CG 4.16Å; Y117-M121 HydrophobicContact CD1-SD 4.02Å; Y117-M121 HydrophobicContact CE1-CE 4.34Å; Y117-M121 HydrophobicContact CE1-CG 3.95Å; Y117-M121 HydrophobicContact CE1-SD 3.74Å; Y117-M121 WeakPolarHBondContact O-CG 3.26Å; Y117-M121 PolarHBondContact O-N 2.83Å; Y117-M121 VanDerWaalsContact O-N 3.07Å; W118-M121 HydrophobicContact CB-CE 4.24Å; W118-M121 HydrophobicContact CD2-CE 3.98Å; W118-M121 HydrophobicContact CE3-CE 3.29Å; W118-M121 HydrophobicContact CG-CE 4.41Å; W118-M121 HydrophobicContact CZ3-CE 3.88Å; W118-M121 WeakPolarHBondContact O-CB 3.2Å; W118-M121 PolarHBondContact O-N 3.13Å; W118-M121 VanDerWaalsContact O-N 3.13Å; D119-M121 VanDerWaalsContact C-N 3.27Å; D119-M121 PolarHBondContact O-N 3.03Å; M121-L169 HydrophobicContact CE-CD1 4.36Å; M121-L169 HydrophobicContact SD-CB 4.06Å; M121-L169 HydrophobicContact SD-CD1 3.76Å; M121-L169 HydrophobicContact SD-CD2 4.14Å; M121-L169 HydrophobicContact SD-CG 4.2Å; M121-F170 HydrophobicContact CG-CE1 4.19Å; M121-F170 HydrophobicContact CG-CE2 4.04Å; M121-F170 HydrophobicContact CG-CZ 3.48Å; M121-F170 VanDerWaalsContact CG-CZ 3.48Å; M121-F170 HydrophobicContact SD-CE2 3.93Å; M121-F170 HydrophobicContact SD-CZ 4Å
122I71.6Confident78.3Confident90 Ų9059.3 Ų59.346%0.46229%0.286SS..Hα-helixtrans-87-26.7-178.7-63.8-168.7000112W118 D119 I120 N124W118-I122 HydrophobicContact CZ2-CD1 3.92Å; W118-I122 PolarHBondContact O-N 3.01Å; D119-I122 PolarHBondContact O-N 3.48Å; I120-I122 PolarHBondContact O-N 2.96Å; I122-N124 PolarHBondContact O-N 3.47Å; I122-N124 VanDerWaalsContact O-N 3.14Å
123S67.3Low78Confident12 Ų1259.8 Ų59.88%0.08429%0.288CS..  trans-76102.8178.679.20000109.9D119 I120 H125 S128D119-S123 WeakPolarHBondContact O-CA 3.11Å; D119-S123 WeakPolarHBondContact O-CB 3.4Å; D119-S123 PolarHBondContact O-N 2.87Å; D119-S123 PolarHBondContact O-OG 3.34Å; D119-S123 VanDerWaalsContact O-OG 3.05Å; I120-S123 PolarHBondContact O-OG 2.97Å; S123-H125 PolarHBondContact O-N 3.48Å; S123-S128 PolarHBondContact OG-OG 3.01Å
124N63.5Low78.1Confident166 Ų16659 Ų5989%0.88828%0.284SS*.  trans-75.629170.9-166.333.1000112.4I122I122-N124 PolarHBondContact O-N 3.47Å; I122-N124 VanDerWaalsContact O-N 3.14Å
125H63.4Low78.6Confident76 Ų7658.1 Ų58.135%0.35227%0.268SS..  trans-99.4119.5-175.7-86.2-75.8000110.6S123 S128 G203 L204S123-H125 PolarHBondContact O-N 3.48Å; H125-S128 PolarHBondContact O-N 3.13Å; H125-S128 PolarHBondContact O-OG 3.1Å; H125-S128 VanDerWaalsContact O-OG 3.07Å; H125-G203 PolarHBondContact CE1-O 3.41Å; H125-L204 HydrophobicContact CB-CD1 4.06Å
126Q64Low78.9Confident177 Ų17752.2 Ų52.283%0.82725%0.246SC*.THydrogen-bonded Turntrans-55.4142.4172.1-75.3179.5-36.800110.8S128Q126-S128 VanDerWaalsContact C-N 3.26Å; Q126-S128 PolarHBondContact O-N 3.26Å
127N69.7Low79.3Confident113 Ų11352 Ų5260%0.60425%0.245SC*.THydrogen-bonded Turntrans64.411.4176.4-61.8-18.8000117.1N129N127-N129 VanDerWaalsContact C-N 3.35Å
128S75.6Confident80.2Confident0 Ų053.6 Ų53.60%025%0.251CS..  trans-76.9-17.8176.1670000114.2S123 H125 Q126 R130 Y131 L132S123-S128 PolarHBondContact OG-OG 3.01Å; H125-S128 PolarHBondContact O-N 3.13Å; H125-S128 PolarHBondContact O-OG 3.1Å; H125-S128 VanDerWaalsContact O-OG 3.07Å; Q126-S128 VanDerWaalsContact C-N 3.26Å; Q126-S128 PolarHBondContact O-N 3.26Å; S128-R130 VanDerWaalsContact C-N 3.3Å; S128-R130 PolarHBondContact O-N 3.43Å; S128-Y131 WeakPolarHBondContact O-CB 3.33Å; S128-Y131 PolarHBondContact O-N 3.02Å; S128-L132 PolarHBondContact O-N 3.09Å
129N80.1Confident81Confident34 Ų3448.7 Ų48.718%0.18224%0.235CC..Hα-helixtrans-53.1-44.6-174-68.3-9.5000112.8I120 N127 Y131 L132 Y133I120-N129 WeakPolarHBondContact CG2-OD1 3.39Å; N127-N129 VanDerWaalsContact C-N 3.35Å; N129-Y131 PolarHBondContact O-N 3.43Å; N129-L132 PolarHBondContact O-N 3.18Å; N129-Y133 HydrophobicContact CB-CD2 4.27Å; N129-Y133 HydrophobicContact CB-CE2 3.79Å; N129-Y133 WeakPolarHBondContact O-CB 3.21Å; N129-Y133 WeakPolarHBondContact O-CD2 3.47Å; N129-Y133 PolarHBondContact O-N 3.26Å
130R86.5Confident81.7Confident100 Ų10047.6 Ų47.638%0.37723%0.23SC..Hα-helixtrans-63.2-43179.8-69.1-179.6-65.8-176.3-1.9112.3S128 A134 N183 A186 F199S128-R130 VanDerWaalsContact C-N 3.3Å; S128-R130 PolarHBondContact O-N 3.43Å; R130-A134 WeakPolarHBondContact O-CB 3.4Å; R130-A134 PolarHBondContact O-N 3.48Å; R130-N183 WeakPolarHBondContact CG-OD1 3.36Å; R130-A186 HydrophobicContact CB-CB 4.01Å; R130-A186 HydrophobicContact CG-CB 4.39Å; R130-A186 WeakPolarHBondContact O-CB 3.37Å; R130-F199 HydrophobicContact CB-CB 4.05Å; R130-F199 HydrophobicContact CB-CD1 4.21Å; R130-F199 HydrophobicContact CB-CG 4.21Å
131Y86.9Confident82.5Confident10 Ų1047.7 Ų47.74%0.03923%0.233CC..Hα-helixtrans-58.7-49.7173.5168.3-103.5000111S128 N129 Y133 A134 R135 P196 D197 F199 R200 L204 Y208S128-Y131 WeakPolarHBondContact O-CB 3.33Å; S128-Y131 PolarHBondContact O-N 3.02Å; N129-Y131 PolarHBondContact O-N 3.43Å; Y131-Y133 PolarHBondContact O-N 2.9Å; Y131-A134 PolarHBondContact O-N 2.98Å; Y131-R135 WeakPolarHBondContact O-CB 3.43Å; Y131-R135 PolarHBondContact O-N 3.44Å; Y131-R135 WeakPolarHBondContact OH-CD 3.49Å; Y131-P196 HydrophobicContact CD2-CB 4.17Å; Y131-P196 WeakPolarHBondContact CD2-O 2.9Å; Y131-P196 HydrophobicContact CE2-CB 4.03Å; Y131-D197 VanDerWaalsContact CE2-OD1 3.28Å; Y131-D197 WeakPolarHBondContact CE2-OD1 3.19Å; Y131-F199 WeakPolarHBondContact CB-O 3.44Å; Y131-R200 HydrophobicContact CD2-CB 3.87Å; Y131-R200 HydrophobicContact CD2-CG 4.3Å; Y131-R200 HydrophobicContact CE2-CB 4.25Å; Y131-R200 HydrophobicContact CE2-CG 4.4Å; Y131-R200 HydrophobicContact CG-CB 4.39Å; Y131-R200 PolarHBondContact OH-NH1 3.19Å; Y131-L204 HydrophobicContact CD1-CD2 3.31Å; Y131-L204 HydrophobicContact CE1-CD2 3.48Å; Y131-L204 VanDerWaalsContact CE1-CD2 3.48Å; Y131-L204 HydrophobicContact CG-CD2 4.17Å; Y131-Y208 WeakPolarHBondContact CE1-OXT 3.46Å; Y131-Y208 VanDerWaalsContact OH-C 3.23Å; Y131-Y208 PolarHBondContact OH-O 2.64Å; Y131-Y208 PolarHBondContact OH-OXT 3.21Å
132L85.8Confident83.8Confident0 Ų050.4 Ų50.40%025%0.245CC..Hα-helixtrans-69.6-35.2-175.6-64.3169.8000112.2A116 D119 I120 S128 N129 R135 G136A116-L132 WeakPolarHBondContact CB-O 3.28Å; D119-L132 HydrophobicContact CB-CD1 4.4Å; D119-L132 HydrophobicContact CB-CD2 3.97Å; I120-L132 HydrophobicContact CB-CD1 4.11Å; I120-L132 HydrophobicContact CD1-CB 3.85Å; I120-L132 HydrophobicContact CG1-CB 3.41Å; I120-L132 VanDerWaalsContact CG1-CB 3.41Å; I120-L132 HydrophobicContact CG1-CD1 3.39Å; I120-L132 HydrophobicContact CG1-CG 4.01Å; S128-L132 PolarHBondContact O-N 3.09Å; N129-L132 PolarHBondContact O-N 3.18Å; L132-R135 PolarHBondContact O-N 2.99Å; L132-G136 PolarHBondContact O-N 3.49Å
133Y88Confident84.9Confident12 Ų1250.3 Ų50.35%0.04724%0.239CC..Hα-helixtrans-64.6-43.6171.3-67.3-40.3000112.5I120 N129 Y131 N137 R158 N183I120-Y133 HydrophobicContact CD1-CD1 3.69Å; I120-Y133 HydrophobicContact CD1-CE1 3.32Å; I120-Y133 HydrophobicContact CD1-CG 4.47Å; N129-Y133 HydrophobicContact CB-CD2 4.27Å; N129-Y133 HydrophobicContact CB-CE2 3.79Å; N129-Y133 WeakPolarHBondContact O-CB 3.21Å; N129-Y133 WeakPolarHBondContact O-CD2 3.47Å; N129-Y133 PolarHBondContact O-N 3.26Å; Y131-Y133 PolarHBondContact O-N 2.9Å; Y133-N137 WeakPolarHBondContact O-CB 3.46Å; Y133-N137 PolarHBondContact O-N 3.26Å; Y133-N137 VanDerWaalsContact O-N 3.16Å; Y133-N137 PolarHBondContact O-ND2 3.23Å; Y133-R158 VanDerWaalsContact CE1-NH1 3.34Å; Y133-R158 VanDerWaalsContact CZ-NH1 3.32Å; Y133-N183 HydrophobicContact CD2-CB 3.91Å; Y133-N183 HydrophobicContact CE2-CB 4.03Å
134A92.5Very high86.1Confident0 Ų050.7 Ų50.70%024%0.244CC..Hα-helixtrans-63.2-45.1174.500000111.1R130 Y131 N137 Y138 A186 G190 P196 F199R130-A134 WeakPolarHBondContact O-CB 3.4Å; R130-A134 PolarHBondContact O-N 3.48Å; Y131-A134 PolarHBondContact O-N 2.98Å; A134-N137 PolarHBondContact O-N 2.91Å; A134-Y138 VanDerWaalsContact O-CB 3.28Å; A134-Y138 WeakPolarHBondContact O-CB 3.29Å; A134-Y138 PolarHBondContact O-N 3.39Å; A134-A186 VanDerWaalsContact CA-O 3.31Å; A134-A186 WeakPolarHBondContact CA-O 3.49Å; A134-A186 HydrophobicContact CB-CB 4.33Å; A134-A186 VanDerWaalsContact CB-O 3.25Å; A134-A186 WeakPolarHBondContact CB-O 3.26Å; A134-G190 VanDerWaalsContact O-CA 3.31Å; A134-G190 WeakPolarHBondContact O-CA 3.28Å; A134-P196 HydrophobicContact CB-CB 3.97Å; A134-F199 HydrophobicContact CB-CD2 3.82Å; A134-F199 HydrophobicContact CB-CE2 4.16Å
135R94.5Very high87.4Confident22 Ų2247.1 Ų47.18%0.08323%0.231CC..Hα-helixtrans-62.7-48.5-179.1-162.4-16676.6-168.7-3.1112D119 Y131 L132 N137 Y138 D139 P196 Y208D119-R135 IonicContact OD2-CZ 3.2Å; D119-R135 VanDerWaalsContact OD2-CZ 3.24Å; D119-R135 IonicContact OD2-NH1 2.65Å; D119-R135 PolarHBondContact OD2-NH1 3.41Å; D119-R135 IonicContact OD2-NH2 3.24Å; D119-R135 PolarHBondContact OD2-NH2 3.03Å; Y131-R135 WeakPolarHBondContact O-CB 3.43Å; Y131-R135 PolarHBondContact O-N 3.44Å; Y131-R135 WeakPolarHBondContact OH-CD 3.49Å; L132-R135 PolarHBondContact O-N 2.99Å; R135-N137 VanDerWaalsContact C-N 3.33Å; R135-N137 PolarHBondContact O-N 2.96Å; R135-Y138 WeakPolarHBondContact O-CB 3.45Å; R135-Y138 PolarHBondContact O-N 3.39Å; R135-D139 WeakPolarHBondContact O-CB 3.26Å; R135-D139 VanDerWaalsContact O-CG 3.25Å; R135-D139 PolarHBondContact O-N 3.39Å; R135-P196 HydrophobicContact CB-CB 4.07Å; R135-P196 HydrophobicContact CB-CG 4.26Å; R135-P196 HydrophobicContact CG-CG 4.47Å; R135-Y208 VanDerWaalsContact CD-OXT 3.28Å; R135-Y208 WeakPolarHBondContact CD-OXT 3.43Å; R135-Y208 PolarHBondContact NH1-OXT 2.88Å
136G93.5Very high88.6Confident1 Ų143.5 Ų43.51%0.0121%0.214CC..Hα-helixtrans-60.2-41.9176.700000112.9L132 A140L132-G136 PolarHBondContact O-N 3.49Å; G136-A140 VanDerWaalsContact O-CB 3.26Å; G136-A140 WeakPolarHBondContact O-CB 3.33Å; G136-A140 PolarHBondContact O-N 3.06Å
137N95.7Very high90.1Very high0 Ų035.1 Ų35.10%017%0.174CC..Hα-helixtrans-68.1-36.6176.6-87.2-98.4000112.4Y133 A134 R135 A141 S155 E187 R191Y133-N137 WeakPolarHBondContact O-CB 3.46Å; Y133-N137 PolarHBondContact O-N 3.26Å; Y133-N137 VanDerWaalsContact O-N 3.16Å; Y133-N137 PolarHBondContact O-ND2 3.23Å; A134-N137 PolarHBondContact O-N 2.91Å; R135-N137 VanDerWaalsContact C-N 3.33Å; R135-N137 PolarHBondContact O-N 2.96Å; N137-A141 WeakPolarHBondContact O-CB 3.43Å; N137-A141 PolarHBondContact O-N 3.4Å; N137-S155 PolarHBondContact ND2-OG 3.14Å; N137-E187 VanDerWaalsContact CB-O 3.31Å; N137-E187 WeakPolarHBondContact CB-O 3.49Å; N137-E187 WeakPolarHBondContact ND2-CG 3.4Å; N137-R191 HydrophobicContact CB-CB 4.09Å; N137-R191 PolarHBondContact OD1-NE 3.17Å; N137-R191 PolarHBondContact OD1-NH2 2.94Å
138Y96.3Very high91.2Very high71 Ų7132.3 Ų32.328%0.27816%0.161SC..Hα-helixtrans-63.4-56174.4177.4-92.2000110.4A134 R135 A140 A141 Q142 G190 G193 P196A134-Y138 VanDerWaalsContact O-CB 3.28Å; A134-Y138 WeakPolarHBondContact O-CB 3.29Å; A134-Y138 PolarHBondContact O-N 3.39Å; R135-Y138 WeakPolarHBondContact O-CB 3.45Å; R135-Y138 PolarHBondContact O-N 3.39Å; Y138-A140 VanDerWaalsContact C-N 3.3Å; Y138-A140 PolarHBondContact O-N 2.94Å; Y138-A141 PolarHBondContact O-N 3.45Å; Y138-Q142 HydrophobicContact CD1-CG 4.22Å; Y138-Q142 HydrophobicContact CE1-CG 3.95Å; Y138-Q142 VanDerWaalsContact CE2-NE2 3.28Å; Y138-Q142 WeakPolarHBondContact O-CG 3.29Å; Y138-Q142 PolarHBondContact O-N 3.48Å; Y138-Q142 PolarHBondContact OH-NE2 2.87Å; Y138-Q142 VanDerWaalsContact OH-NE2 3.17Å; Y138-G190 VanDerWaalsContact CA-O 3.27Å; Y138-G190 WeakPolarHBondContact CA-O 3.42Å; Y138-G193 WeakPolarHBondContact CE2-O 3.39Å; Y138-P196 HydrophobicContact CD1-CG 4.32Å; Y138-P196 HydrophobicContact CD2-CG 4.37Å; Y138-P196 HydrophobicContact CG-CG 3.91Å
139D96.9Very high91.8Very high45 Ų4536 Ų3624%0.24118%0.175CC..Hα-helixtrans-56.4-44.6-179.4-67.7-17.6000111.7D112 R135 Q142D112-D139 HydrophobicContact CB-CB 3.83Å; R135-D139 WeakPolarHBondContact O-CB 3.26Å; R135-D139 VanDerWaalsContact O-CG 3.25Å; R135-D139 PolarHBondContact O-N 3.39Å; D139-Q142 PolarHBondContact O-N 2.94Å
140A96.2Very high92.3Very high0 Ų034.4 Ų34.40%017%0.167CC..Hα-helixtrans-65.7-41.2176.300000112.2D112 M113 G136 Y138 Q142 R143 G147 A151D112-A140 HydrophobicContact CB-CB 4.46Å; M113-A140 HydrophobicContact CG-CB 4.18Å; M113-A140 HydrophobicContact SD-CB 4.45Å; G136-A140 VanDerWaalsContact O-CB 3.26Å; G136-A140 WeakPolarHBondContact O-CB 3.33Å; G136-A140 PolarHBondContact O-N 3.06Å; Y138-A140 VanDerWaalsContact C-N 3.3Å; Y138-A140 PolarHBondContact O-N 2.94Å; A140-Q142 VanDerWaalsContact C-N 3.27Å; A140-Q142 PolarHBondContact O-N 3.27Å; A140-R143 WeakPolarHBondContact O-CB 3.32Å; A140-R143 WeakPolarHBondContact O-CG 3.3Å; A140-R143 PolarHBondContact O-N 2.88Å; A140-R143 VanDerWaalsContact O-N 3.13Å; A140-G147 CarbonylContact O-C 3.36Å; A140-G147 WeakPolarHBondContact O-CA 3.2Å; A140-A151 HydrophobicContact CB-CB 3.86Å
141A94.9Very high92.5Very high17 Ų1729.6 Ų29.614%0.1415%0.149CC..Hα-helixtrans-63.9-33.7177.200000112.4N137 Y138 R143 G144 V148 R191N137-A141 WeakPolarHBondContact O-CB 3.43Å; N137-A141 PolarHBondContact O-N 3.4Å; Y138-A141 PolarHBondContact O-N 3.45Å; A141-R143 PolarHBondContact O-N 3.46Å; A141-G144 PolarHBondContact O-N 3.35Å; A141-G144 VanDerWaalsContact O-N 3.12Å; A141-V148 HydrophobicContact CB-CG2 3.88Å; A141-R191 HydrophobicContact CB-CG 4.1Å
142Q96.8Very high92.6Very high112 Ų11233.4 Ų33.452%0.52317%0.165SC..THydrogen-bonded Turntrans-65-15.7175.8-64.1-60-3.800113.6Y138 D139 A140 G144Y138-Q142 HydrophobicContact CD1-CG 4.22Å; Y138-Q142 HydrophobicContact CE1-CG 3.95Å; Y138-Q142 VanDerWaalsContact CE2-NE2 3.28Å; Y138-Q142 WeakPolarHBondContact O-CG 3.29Å; Y138-Q142 PolarHBondContact O-N 3.48Å; Y138-Q142 PolarHBondContact OH-NE2 2.87Å; Y138-Q142 VanDerWaalsContact OH-NE2 3.17Å; D139-Q142 PolarHBondContact O-N 2.94Å; A140-Q142 VanDerWaalsContact C-N 3.27Å; A140-Q142 PolarHBondContact O-N 3.27Å; Q142-G144 VanDerWaalsContact C-N 3.3Å
143R95.4Very high92.5Very high88 Ų8835 Ų3533%0.33217%0.174SC..THydrogen-bonded Turntrans-70.6-27.8173.9-56-54.8-173153.1-3.2112.7E105 Q108 D112 A140 A141E105-R143 HydrophobicContact CB-CB 4.12Å; E105-R143 VanDerWaalsContact CD-O 3.31Å; E105-R143 HydrophobicContact CG-CB 4.5Å; E105-R143 WeakPolarHBondContact CG-O 3.17Å; Q108-R143 HydrophobicContact CB-CG 3.88Å; D112-R143 IonicContact OD1-NH2 2.98Å; D112-R143 PolarHBondContact OD1-NH2 2.96Å; D112-R143 IonicContact OD2-CZ 2.67Å; D112-R143 VanDerWaalsContact OD2-CZ 3.27Å; D112-R143 IonicContact OD2-NE 2.91Å; D112-R143 PolarHBondContact OD2-NE 3.08Å; D112-R143 IonicContact OD2-NH2 3.83Å; D112-R143 PolarHBondContact OD2-NH2 3.49Å; A140-R143 WeakPolarHBondContact O-CB 3.32Å; A140-R143 WeakPolarHBondContact O-CG 3.3Å; A140-R143 PolarHBondContact O-N 2.88Å; A140-R143 VanDerWaalsContact O-N 3.13Å; A141-R143 PolarHBondContact O-N 3.46Å
144G91.9Very high92.3Very high20 Ų2036.9 Ų36.921%0.20618%0.184CC..  trans119.4-168.9-17400000112.8E105 A141 Q142 G146 G147 V148E105-G144 WeakPolarHBondContact OE2-CA 3.14Å; A141-G144 PolarHBondContact O-N 3.35Å; A141-G144 VanDerWaalsContact O-N 3.12Å; Q142-G144 VanDerWaalsContact C-N 3.3Å; G144-G146 PolarHBondContact O-N 3.47Å; G144-G147 PolarHBondContact O-N 2.89Å; G144-V148 PolarHBondContact O-N 3.4Å
145P90.9Very high92Very high92 Ų9237.2 Ų37.260%0.59719%0.186SC*.Hα-helixtrans-55-35.6-174.9-26.834.9000114.3F102 E105 W149F102-P145 HydrophobicContact CD2-CB 4.33Å; F102-P145 HydrophobicContact CE2-CB 4.47Å; E105-P145 VanDerWaalsContact OE2-CD 3.25Å; E105-P145 WeakPolarHBondContact OE2-CD 3.32Å; P145-W149 PolarHBondContact O-N 2.89Å; P145-W149 VanDerWaalsContact O-N 3.08Å
146G89.4Confident91.5Very high0 Ų041.9 Ų41.90%020%0.204CC..Hα-helixtrans-65.6-41.7176.800000112.7F102 E105 A106 G144 W149 A150F102-G146 WeakPolarHBondContact O-CA 3.3Å; E105-G146 PolarHBondContact OE2-N 3.3Å; E105-G146 VanDerWaalsContact OE2-N 3.09Å; A106-G146 VanDerWaalsContact CA-C 3.46Å; A106-G146 VanDerWaalsContact CA-O 3.3Å; A106-G146 WeakPolarHBondContact CA-O 3.37Å; A106-G146 WeakPolarHBondContact CB-O 3.49Å; G144-G146 PolarHBondContact O-N 3.47Å; G146-W149 PolarHBondContact O-N 3.32Å; G146-A150 PolarHBondContact O-N 3.31Å
147G93.6Very high90.6Very high0 Ų042 Ų420%020%0.204CC..Hα-helixtrans-69.5-38177.900000113A140 G144 W149 A150 A151A140-G147 CarbonylContact O-C 3.36Å; A140-G147 WeakPolarHBondContact O-CA 3.2Å; G144-G147 PolarHBondContact O-N 2.89Å; G147-W149 VanDerWaalsContact C-N 3.32Å; G147-W149 PolarHBondContact O-N 2.86Å; G147-A150 PolarHBondContact O-N 3.28Å; G147-A151 WeakPolarHBondContact O-CB 3.48Å; G147-A151 PolarHBondContact O-N 2.9Å
148V92.9Very high89.6Confident55 Ų5543.3 Ų43.333%0.33321%0.209SC..Hα-helixtrans-59.4-43.6171.6173.90000111.2A141 G144 K152 R191A141-V148 HydrophobicContact CB-CG2 3.88Å; G144-V148 PolarHBondContact O-N 3.4Å; V148-K152 WeakPolarHBondContact O-CB 3.42Å; V148-K152 PolarHBondContact O-N 2.9Å; V148-R191 HydrophobicContact CG1-CG 4.24Å
149W89.7Confident88.3Confident77 Ų7744.5 Ų44.529%0.29222%0.224SC..Hα-helixtrans-62-47.7176176.189.3000111.5F102 A106 P145 G146 G147 A151 K152 L153F102-W149 HydrophobicContact CE2-CB 4.37Å; F102-W149 HydrophobicContact CZ-CB 4Å; F102-W149 HydrophobicContact CZ-CD2 4.33Å; F102-W149 HydrophobicContact CZ-CG 4.06Å; A106-W149 HydrophobicContact CB-CE3 4.24Å; P145-W149 PolarHBondContact O-N 2.89Å; P145-W149 VanDerWaalsContact O-N 3.08Å; G146-W149 PolarHBondContact O-N 3.32Å; G147-W149 VanDerWaalsContact C-N 3.32Å; G147-W149 PolarHBondContact O-N 2.86Å; W149-A151 PolarHBondContact O-N 3.35Å; W149-K152 PolarHBondContact O-N 2.98Å; W149-L153 HydrophobicContact CH2-CD2 3.53Å; W149-L153 HydrophobicContact CZ2-CD2 3.9Å; W149-L153 HydrophobicContact CZ3-CD2 3.98Å; W149-L153 WeakPolarHBondContact O-CB 3.23Å; W149-L153 PolarHBondContact O-N 2.91Å
150A89.1Confident86.8Confident0 Ų046.2 Ų46.20%023%0.228CC..Hα-helixtrans-60.1-46.2178.600000112.1A106 V110 G146 G147 K152 L153 I154A106-A150 HydrophobicContact CB-CB 4.45Å; A106-A150 WeakPolarHBondContact O-CB 3.35Å; V110-A150 HydrophobicContact CG2-CB 3.9Å; G146-A150 PolarHBondContact O-N 3.31Å; G147-A150 PolarHBondContact O-N 3.28Å; A150-K152 VanDerWaalsContact C-N 3.35Å; A150-K152 PolarHBondContact O-N 3Å; A150-L153 PolarHBondContact O-N 3.02Å; A150-I154 WeakPolarHBondContact O-CG1 3.28Å; A150-I154 PolarHBondContact O-N 2.94Å
151A91.1Very high85.3Confident0 Ų048.1 Ų48.10%024%0.238CC..Hα-helixtrans-58.8-46.3177.200000111.7M113 A140 G147 W149 L153 I154 S155M113-A151 HydrophobicContact CG-CB 4.37Å; M113-A151 HydrophobicContact SD-CB 4.04Å; A140-A151 HydrophobicContact CB-CB 3.86Å; G147-A151 WeakPolarHBondContact O-CB 3.48Å; G147-A151 PolarHBondContact O-N 2.9Å; W149-A151 PolarHBondContact O-N 3.35Å; A151-L153 PolarHBondContact O-N 2.87Å; A151-I154 PolarHBondContact O-N 3.16Å; A151-S155 VanDerWaalsContact O-CB 3.31Å; A151-S155 WeakPolarHBondContact O-CB 3.27Å; A151-S155 PolarHBondContact O-N 3.08Å; A151-S155 PolarHBondContact O-OG 3.47Å
152K89.8Confident83.8Confident90 Ų9048.3 Ų48.339%0.39124%0.236SC..Hα-helixtrans-62.9-42.7178.3-171.7168.8-177175.10112.2V148 W149 A150 R156V148-K152 WeakPolarHBondContact O-CB 3.42Å; V148-K152 PolarHBondContact O-N 2.9Å; W149-K152 PolarHBondContact O-N 2.98Å; A150-K152 VanDerWaalsContact C-N 3.35Å; A150-K152 PolarHBondContact O-N 3Å; K152-R156 WeakPolarHBondContact O-CB 3.46Å; K152-R156 VanDerWaalsContact O-CG 3.31Å; K152-R156 WeakPolarHBondContact O-CG 3.45Å; K152-R156 PolarHBondContact O-N 3.12Å; K152-R156 VanDerWaalsContact O-N 3.16Å
153L83.9Confident81.9Confident33 Ų3344.8 Ų44.817%0.17323%0.229CC..Hα-helixtrans-62.5-48.1178.3179.166.1000111.5V75 T78 W149 A150 A151 S157V75-L153 HydrophobicContact CG2-CD1 4.31Å; T78-L153 HydrophobicContact CG2-CD1 4.36Å; W149-L153 HydrophobicContact CH2-CD2 3.53Å; W149-L153 HydrophobicContact CZ2-CD2 3.9Å; W149-L153 HydrophobicContact CZ3-CD2 3.98Å; W149-L153 WeakPolarHBondContact O-CB 3.23Å; W149-L153 PolarHBondContact O-N 2.91Å; A150-L153 PolarHBondContact O-N 3.02Å; A151-L153 PolarHBondContact O-N 2.87Å; L153-S157 VanDerWaalsContact O-CB 3.24Å; L153-S157 WeakPolarHBondContact O-CB 3.33Å; L153-S157 PolarHBondContact O-N 3.23Å; L153-S157 PolarHBondContact O-OG 2.98Å
154I83.6Confident80.1Confident51 Ų5142.1 Ų42.126%0.26222%0.221SC..Hα-helixtrans-66.9-46.6-178.3-68.7171.6000110.6V110 M113 A150 A151 R156 S157 R158V110-I154 HydrophobicContact CB-CD1 4.23Å; V110-I154 HydrophobicContact CG1-CD1 4.2Å; V110-I154 HydrophobicContact CG2-CD1 4.03Å; M113-I154 HydrophobicContact CB-CD1 3.72Å; M113-I154 HydrophobicContact CB-CG2 4.35Å; M113-I154 HydrophobicContact CE-CB 4.12Å; M113-I154 HydrophobicContact CE-CG2 3.86Å; M113-I154 HydrophobicContact CG-CD1 4.04Å; A150-I154 WeakPolarHBondContact O-CG1 3.28Å; A150-I154 PolarHBondContact O-N 2.94Å; A151-I154 PolarHBondContact O-N 3.16Å; I154-R156 PolarHBondContact O-N 3.45Å; I154-S157 PolarHBondContact O-N 3.37Å; I154-R158 PolarHBondContact O-N 3.38Å
155S86.2Confident78.4Confident7 Ų742.4 Ų42.45%0.04922%0.218CC..Hα-helixtrans-59.5-42.5179.5-81.50000112.9N137 A151 R158 E187N137-S155 PolarHBondContact ND2-OG 3.14Å; A151-S155 VanDerWaalsContact O-CB 3.31Å; A151-S155 WeakPolarHBondContact O-CB 3.27Å; A151-S155 PolarHBondContact O-N 3.08Å; A151-S155 PolarHBondContact O-OG 3.47Å; S155-R158 WeakPolarHBondContact O-CB 3.32Å; S155-R158 PolarHBondContact O-N 2.9Å; S155-E187 VanDerWaalsContact CB-CD 3.47Å; S155-E187 WeakPolarHBondContact CB-OE1 3.47Å; S155-E187 WeakPolarHBondContact CB-OE2 3.24Å; S155-E187 PolarHBondContact OG-OE1 3.41Å; S155-E187 PolarHBondContact OG-OE2 3.1Å
156R83Confident76.7Confident120 Ų12040.5 Ų40.545%0.45320%0.203SC..Hα-helixtrans-67.4-41.8175.7-72.6175.1172-160.2-8112.4E74 K152 I154 R158E74-R156 WeakPolarHBondContact OE1-CD 3.48Å; E74-R156 IonicContact OE1-NH1 2.71Å; K152-R156 WeakPolarHBondContact O-CB 3.46Å; K152-R156 VanDerWaalsContact O-CG 3.31Å; K152-R156 WeakPolarHBondContact O-CG 3.45Å; K152-R156 PolarHBondContact O-N 3.12Å; K152-R156 VanDerWaalsContact O-N 3.16Å; I154-R156 PolarHBondContact O-N 3.45Å; R156-R158 VanDerWaalsContact C-N 3.26Å; R156-R158 PolarHBondContact O-N 2.69Å
157S74.6Confident74.8Confident3 Ų343.6 Ų43.62%0.02122%0.223CC..Hα-helixtrans-70.3-20.3179.8-62.90000113.5L153 I154 V159 Y160 L161L153-S157 VanDerWaalsContact O-CB 3.24Å; L153-S157 WeakPolarHBondContact O-CB 3.33Å; L153-S157 PolarHBondContact O-N 3.23Å; L153-S157 PolarHBondContact O-OG 2.98Å; I154-S157 PolarHBondContact O-N 3.37Å; S157-V159 VanDerWaalsContact C-N 3.28Å; S157-V159 PolarHBondContact O-N 2.85Å; S157-Y160 PolarHBondContact O-N 2.9Å; S157-L161 WeakPolarHBondContact O-CG 3.3Å; S157-L161 PolarHBondContact O-N 3.49Å
158R75.9Confident72.7Confident28 Ų2849.4 Ų49.411%0.10625%0.246CC..Hα-helixtrans-51.2-44.4-175.9-179.1-174.962.4-146.8-18.8112.7Y133 I154 S155 R156 Y160 L161 Q162 E187Y133-R158 VanDerWaalsContact CE1-NH1 3.34Å; Y133-R158 VanDerWaalsContact CZ-NH1 3.32Å; I154-R158 PolarHBondContact O-N 3.38Å; S155-R158 WeakPolarHBondContact O-CB 3.32Å; S155-R158 PolarHBondContact O-N 2.9Å; R156-R158 VanDerWaalsContact C-N 3.26Å; R156-R158 PolarHBondContact O-N 2.69Å; R158-Y160 PolarHBondContact O-N 3.15Å; R158-L161 CarbonylContact O-C 3.58Å; R158-L161 PolarHBondContact O-N 3.34Å; R158-Q162 WeakPolarHBondContact O-CB 3.31Å; R158-Q162 PolarHBondContact O-N 2.96Å; R158-E187 IonicContact CZ-OE1 2.76Å; R158-E187 IonicContact NH1-OE1 3.29Å; R158-E187 PolarHBondContact NH1-OE1 2.83Å; R158-E187 IonicContact NH2-OE1 3.41Å; R158-E187 PolarHBondContact NH2-OE1 3.28Å; R158-E187 IonicContact NH2-OE2 3.93Å
159V67.7Low70.4Confident97 Ų9751.2 Ų51.259%0.58825%0.254SS*.Hα-helixtrans-61-34.4-176.1-178.40000111.5S157S157-V159 VanDerWaalsContact C-N 3.28Å; S157-V159 PolarHBondContact O-N 2.85Å
160Y66.8Low68.5Low80 Ų8049.1 Ų49.131%0.31425%0.247SC..Hα-helixtrans-82.4-35.5176.9-53.7-63.5000112.7A70 W71 E74 S157 R158 Q162A70-Y160 HydrophobicContact CB-CD1 3.55Å; A70-Y160 HydrophobicContact CB-CE1 3.38Å; A70-Y160 HydrophobicContact CB-CG 4.33Å; W71-Y160 HydrophobicContact CB-CD2 4.49Å; W71-Y160 HydrophobicContact CB-CG 4.32Å; E74-Y160 HydrophobicContact CB-CE2 4.26Å; E74-Y160 HydrophobicContact CG-CE2 4.48Å; S157-Y160 PolarHBondContact O-N 2.9Å; R158-Y160 PolarHBondContact O-N 3.15Å; Y160-Q162 VanDerWaalsContact C-N 3.28Å
161L64.2Low66.1Low41 Ų4153 Ų5322%0.21529%0.287CS..Hα-helixtrans-74.7-19.9177.9-67.3172.2000112.6F24 S157 R158 G163 L164 I165F24-L161 HydrophobicContact CE1-CD2 4.33Å; F24-L161 HydrophobicContact CE2-CD2 4.36Å; F24-L161 HydrophobicContact CZ-CD2 3.71Å; S157-L161 WeakPolarHBondContact O-CG 3.3Å; S157-L161 PolarHBondContact O-N 3.49Å; R158-L161 CarbonylContact O-C 3.58Å; R158-L161 PolarHBondContact O-N 3.34Å; L161-G163 VanDerWaalsContact C-N 3.29Å; L161-G163 PolarHBondContact O-N 2.88Å; L161-L164 WeakPolarHBondContact O-CB 3.36Å; L161-L164 PolarHBondContact O-N 2.9Å; L161-I165 HydrophobicContact CB-CD1 3.99Å; L161-I165 WeakPolarHBondContact O-CB 3.46Å; L161-I165 VanDerWaalsContact O-CG1 3.28Å; L161-I165 WeakPolarHBondContact O-CG1 3.28Å; L161-I165 PolarHBondContact O-N 3.44Å
162Q62.2Low63.7Low21 Ų2161.2 Ų61.210%0.09833%0.331CS..Hα-helixtrans-54.3-44.9-179.5-167.567.645.500111.2R158 Y160 L164 I165 D166R158-Q162 WeakPolarHBondContact O-CB 3.31Å; R158-Q162 PolarHBondContact O-N 2.96Å; Y160-Q162 VanDerWaalsContact C-N 3.28Å; Q162-L164 VanDerWaalsContact C-N 3.33Å; Q162-L164 PolarHBondContact O-N 3.46Å; Q162-I165 PolarHBondContact O-N 3.06Å; Q162-D166 PolarHBondContact NE2-OD1 3.37Å; Q162-D166 VanDerWaalsContact O-CB 3.28Å; Q162-D166 WeakPolarHBondContact O-CB 3.49Å; Q162-D166 PolarHBondContact O-N 2.85Å
163G58.1Low61.5Low37 Ų3759 Ų5938%0.38133%0.326SS..Hα-helixtrans-65.9-30.9177.600000114.4L161 C167L161-G163 VanDerWaalsContact C-N 3.29Å; L161-G163 PolarHBondContact O-N 2.88Å; G163-C167 PolarHBondContact O-N 3.46Å; G163-C167 PolarHBondContact O-SG 3.2Å; G163-C167 VanDerWaalsContact O-SG 3.39Å
164L57.3Low59.5Low32 Ų3263 Ų6317%0.16836%0.357CS..Hα-helixtrans-75.1-41.3175179.9149.3000111.1F21 F24 L161 Q162 Y168F21-L164 HydrophobicContact CD2-CD1 3.72Å; F21-L164 HydrophobicContact CD2-CD2 4.41Å; F21-L164 HydrophobicContact CD2-CG 4.21Å; F21-L164 HydrophobicContact CE2-CD1 4.15Å; F24-L164 HydrophobicContact CB-CD1 3.85Å; F24-L164 HydrophobicContact CD1-CD1 3.32Å; F24-L164 HydrophobicContact CD2-CB 4.3Å; F24-L164 HydrophobicContact CD2-CD1 3.98Å; F24-L164 HydrophobicContact CE1-CD1 3.8Å; F24-L164 HydrophobicContact CE2-CD1 4.37Å; F24-L164 HydrophobicContact CG-CD1 3.43Å; F24-L164 VanDerWaalsContact CG-CD1 3.43Å; F24-L164 HydrophobicContact CZ-CD1 4.3Å; L161-L164 WeakPolarHBondContact O-CB 3.36Å; L161-L164 PolarHBondContact O-N 2.9Å; Q162-L164 VanDerWaalsContact C-N 3.33Å; Q162-L164 PolarHBondContact O-N 3.46Å; L164-Y168 WeakPolarHBondContact O-CB 3.16Å; L164-Y168 PolarHBondContact O-N 3.44Å
165I57.2Low57.7Low26 Ų2664.8 Ų64.813%0.13337%0.371CS..Hα-helixtrans-69.8-42.2179.4-68169.4000110.3Y117 L161 Q162 C167 Y168 L169 F170Y117-I165 HydrophobicContact CE1-CD1 4.28Å; Y117-I165 HydrophobicContact CE1-CG2 3.76Å; Y117-I165 HydrophobicContact CE2-CD1 4.37Å; Y117-I165 WeakPolarHBondContact OH-CG2 3.4Å; L161-I165 HydrophobicContact CB-CD1 3.99Å; L161-I165 WeakPolarHBondContact O-CB 3.46Å; L161-I165 VanDerWaalsContact O-CG1 3.28Å; L161-I165 WeakPolarHBondContact O-CG1 3.28Å; L161-I165 PolarHBondContact O-N 3.44Å; Q162-I165 PolarHBondContact O-N 3.06Å; I165-C167 VanDerWaalsContact C-N 3.34Å; I165-C167 PolarHBondContact O-N 3.3Å; I165-Y168 PolarHBondContact O-N 3.48Å; I165-L169 HydrophobicContact CG2-CB 4.26Å; I165-L169 HydrophobicContact CG2-CD1 3.83Å; I165-L169 WeakPolarHBondContact O-CB 3.16Å; I165-L169 PolarHBondContact O-N 3.24Å; I165-F170 HydrophobicContact CG2-CD2 3.57Å; I165-F170 HydrophobicContact CG2-CE2 3.23Å; I165-F170 HydrophobicContact CG2-CZ 4.39Å
166D54.9Low55.9Low53 Ų5365.5 Ų65.528%0.28337%0.374SS..Hα-helixtrans-57-48.6175.7-68.2-15.4000110Q162 Y168 F170Q162-D166 PolarHBondContact NE2-OD1 3.37Å; Q162-D166 VanDerWaalsContact O-CB 3.28Å; Q162-D166 WeakPolarHBondContact O-CB 3.49Å; Q162-D166 PolarHBondContact O-N 2.85Å; D166-Y168 VanDerWaalsContact C-N 3.34Å; D166-Y168 PolarHBondContact O-N 3.17Å; D166-F170 CarbonylContact C-O 3.6Å; D166-F170 CarbonylContact O-C 3.19Å; D166-F170 WeakPolarHBondContact O-CA 3.3Å; D166-F170 PolarHBondContact O-N 3.43Å
167C49.8Very low54.1Low64 Ų6466.9 Ų66.943%0.43239%0.39SS..Hα-helixtrans-66.4-26178.6-74.40000115.7S17 G163 I165S17-C167 WeakPolarHBondContact CB-O 3.4Å; S17-C167 PolarHBondContact OG-O 3.44Å; G163-C167 PolarHBondContact O-N 3.46Å; G163-C167 PolarHBondContact O-SG 3.2Å; G163-C167 VanDerWaalsContact O-SG 3.39Å; I165-C167 VanDerWaalsContact C-N 3.34Å; I165-C167 PolarHBondContact O-N 3.3Å
168Y48.7Very low52.9Low123 Ų12374.4 Ų74.448%0.48243%0.425SS..Hα-helixtrans-102.6-28.7-174.2-146.2-85.9000113.5L164 I165 D166L164-Y168 WeakPolarHBondContact O-CB 3.16Å; L164-Y168 PolarHBondContact O-N 3.44Å; I165-Y168 PolarHBondContact O-N 3.48Å; D166-Y168 VanDerWaalsContact C-N 3.34Å; D166-Y168 PolarHBondContact O-N 3.17Å
169L44.8Very low52.3Low93 Ų9377.4 Ų77.449%0.48744%0.443SS..Hα-helixtrans-122.7-28.2-171-68.7162.1000113M121 I165M121-L169 HydrophobicContact CE-CD1 4.36Å; M121-L169 HydrophobicContact SD-CB 4.06Å; M121-L169 HydrophobicContact SD-CD1 3.76Å; M121-L169 HydrophobicContact SD-CD2 4.14Å; M121-L169 HydrophobicContact SD-CG 4.2Å; I165-L169 HydrophobicContact CG2-CB 4.26Å; I165-L169 HydrophobicContact CG2-CD1 3.83Å; I165-L169 WeakPolarHBondContact O-CB 3.16Å; I165-L169 PolarHBondContact O-N 3.24Å
170F49.2Very low52.3Low33 Ų3376.2 Ų76.215%0.14544%0.439CS..  trans-121.197.4-171.9-57.4-104.9000111.5Y117 M121 I165 D166 N172Y117-F170 HydrophobicContact CE1-CE2 4Å; Y117-F170 HydrophobicContact CE1-CZ 4.14Å; Y117-F170 VanDerWaalsContact OH-CE2 3.28Å; Y117-F170 WeakPolarHBondContact OH-CE2 3.46Å; Y117-F170 WeakPolarHBondContact OH-CZ 3.43Å; M121-F170 HydrophobicContact CG-CE1 4.19Å; M121-F170 HydrophobicContact CG-CE2 4.04Å; M121-F170 HydrophobicContact CG-CZ 3.48Å; M121-F170 VanDerWaalsContact CG-CZ 3.48Å; M121-F170 HydrophobicContact SD-CE2 3.93Å; M121-F170 HydrophobicContact SD-CZ 4Å; I165-F170 HydrophobicContact CG2-CD2 3.57Å; I165-F170 HydrophobicContact CG2-CE2 3.23Å; I165-F170 HydrophobicContact CG2-CZ 4.39Å; D166-F170 CarbonylContact C-O 3.6Å; D166-F170 CarbonylContact O-C 3.19Å; D166-F170 WeakPolarHBondContact O-CA 3.3Å; D166-F170 PolarHBondContact O-N 3.43Å; F170-N172 PolarHBondContact O-N 3.32Å
171G39.2Very low52.7Low82 Ų8279.4 Ų79.485%0.84546%0.455SS*.SBendtrans-50.2111.5155.300000109.2S173G171-S173 PolarHBondContact O-N 3.28Å
172N40.9Very low53.3Low172 Ų17278.3 Ų78.392%0.9245%0.45SS*.SBendtrans12.583.1176.2-80.1-25.8000115.5F170F170-N172 PolarHBondContact O-N 3.32Å
173S44Very low54.3Low42 Ų4277.7 Ų77.729%0.29445%0.448SS..  trans-117.3103.616366.70000110.8G171 T175G171-S173 PolarHBondContact O-N 3.28Å; S173-T175 PolarHBondContact O-N 3.08Å
174S42.1Very low55.6Low118 Ų11880.8 Ų80.883%0.82545%0.452SS*.THydrogen-bonded Turntrans-65.811178.145.90000114.9
175T44.6Very low57.1Low89 Ų8986.3 Ų86.355%0.54648%0.475SS..THydrogen-bonded Turntrans-93.3-6.2-167.843.20000114.8S173S173-T175 PolarHBondContact O-N 3.08Å
176V49Very low58.7Low21 Ų2185 Ų8513%0.12747%0.468CS..SBendtrans-87.4-16.8-173.4-173.30000113
177L45.3Very low60.4Low149 Ų14983 Ų8378%0.7846%0.457SS*.  trans-89.6-4.1-175.1-141.6107.1000114.7D179L177-D179 VanDerWaalsContact C-N 3.28Å; L177-D179 PolarHBondContact O-N 2.96Å
178E49.2Very low62.5Low161 Ų16185.2 Ų85.275%0.75246%0.461SS*.THydrogen-bonded Turntrans-70.289.5178.4-75.3-171.1157.700110.1
179D62.9Low64.7Low92 Ų9282.2 Ų82.249%0.49245%0.449SS..THydrogen-bonded Turntrans81.772.3168.7-1583.3000117.1L177 K181 S182 N183L177-D179 VanDerWaalsContact C-N 3.28Å; L177-D179 PolarHBondContact O-N 2.96Å; D179-K181 PolarHBondContact O-N 3.31Å; D179-K181 VanDerWaalsContact O-N 3.15Å; D179-K181 PolarHBondContact OD1-N 3.04Å; D179-S182 WeakPolarHBondContact CB-OG 3.03Å; D179-S182 WeakPolarHBondContact O-CB 3.36Å; D179-S182 PolarHBondContact O-N 2.98Å; D179-S182 PolarHBondContact O-OG 2.94Å; D179-S182 PolarHBondContact OD1-N 2.93Å; D179-S182 VanDerWaalsContact OD2-CB 3.29Å; D179-S182 WeakPolarHBondContact OD2-CB 3.35Å; D179-N183 PolarHBondContact O-N 3.45Å; D179-N183 VanDerWaalsContact O-N 3.1Å
180S67.7Low67Low72 Ų7277.8 Ų77.850%0.50343%0.426SS..Hα-helixtrans-50.5-34.1171.961.40000113.8N183 E184S180-N183 PolarHBondContact O-N 3.15Å; S180-E184 PolarHBondContact O-N 3.02Å
181K75.4Confident69.1Low147 Ų14778.6 Ų78.664%0.63943%0.428SS*.Hα-helixtrans-70-37.1175.9-74.2-177.7177.1177.20112.1D179 N183 K185D179-K181 PolarHBondContact O-N 3.31Å; D179-K181 VanDerWaalsContact O-N 3.15Å; D179-K181 PolarHBondContact OD1-N 3.04Å; K181-N183 VanDerWaalsContact C-N 3.33Å; K181-K185 WeakPolarHBondContact O-CG 3.45Å; K181-K185 PolarHBondContact O-N 3.46Å
182S76.9Confident71.7Confident17 Ų1778 Ų7812%0.11941%0.41CS..Hα-helixtrans-68-36.5174.478.40000112.1D179 K185 A186D179-S182 WeakPolarHBondContact CB-OG 3.03Å; D179-S182 WeakPolarHBondContact O-CB 3.36Å; D179-S182 PolarHBondContact O-N 2.98Å; D179-S182 PolarHBondContact O-OG 2.94Å; D179-S182 PolarHBondContact OD1-N 2.93Å; D179-S182 VanDerWaalsContact OD2-CB 3.29Å; D179-S182 WeakPolarHBondContact OD2-CB 3.35Å; S182-K185 PolarHBondContact O-N 3.3Å; S182-A186 PolarHBondContact O-N 3.42Å; S182-A186 VanDerWaalsContact O-N 3.14Å
183N82.2Confident74.1Confident8 Ų871.6 Ų71.64%0.04339%0.386CS..Hα-helixtrans-66-44.1176.7-69.1-27000110.9R130 Y133 D179 S180 K181 K185 A186 E187R130-N183 WeakPolarHBondContact CG-OD1 3.36Å; Y133-N183 HydrophobicContact CD2-CB 3.91Å; Y133-N183 HydrophobicContact CE2-CB 4.03Å; D179-N183 PolarHBondContact O-N 3.45Å; D179-N183 VanDerWaalsContact O-N 3.1Å; S180-N183 PolarHBondContact O-N 3.15Å; K181-N183 VanDerWaalsContact C-N 3.33Å; N183-K185 VanDerWaalsContact C-N 3.31Å; N183-K185 PolarHBondContact O-N 2.89Å; N183-A186 PolarHBondContact O-N 3.23Å; N183-A186 VanDerWaalsContact O-N 3.1Å; N183-E187 VanDerWaalsContact O-CG 3.27Å; N183-E187 WeakPolarHBondContact O-CG 3.47Å; N183-E187 PolarHBondContact O-N 2.94Å
184E86.2Confident76.5Confident103 Ų10374.4 Ų74.448%0.48139%0.393SS..Hα-helixtrans-55.9-44.7174.8-175.5175-156.400112S180 A186 E187 E188S180-E184 PolarHBondContact O-N 3.02Å; E184-A186 VanDerWaalsContact C-N 3.32Å; E184-A186 PolarHBondContact O-N 3.47Å; E184-E187 WeakPolarHBondContact O-CB 3.41Å; E184-E187 PolarHBondContact O-N 3.45Å; E184-E188 WeakPolarHBondContact O-CG 3.23Å; E184-E188 PolarHBondContact O-N 3.34Å
185K89.7Confident79Confident147 Ų14773.5 Ų73.564%0.63938%0.378SS*.Hα-helixtrans-61.9-37.8176.3-71.5176.6-176.7178.40113K181 S182 N183 W189K181-K185 WeakPolarHBondContact O-CG 3.45Å; K181-K185 PolarHBondContact O-N 3.46Å; S182-K185 PolarHBondContact O-N 3.3Å; N183-K185 VanDerWaalsContact C-N 3.31Å; N183-K185 PolarHBondContact O-N 2.89Å; K185-W189 VanDerWaalsContact O-CB 3.28Å; K185-W189 WeakPolarHBondContact O-CB 3.31Å; K185-W189 PolarHBondContact O-N 2.93Å
186A90Very high81.3Confident0 Ų069.7 Ų69.70%036%0.355CS..Hα-helixtrans-69.2-40.3177.900000111.4R130 A134 S182 N183 E184 W189 G190 F199R130-A186 HydrophobicContact CB-CB 4.01Å; R130-A186 HydrophobicContact CG-CB 4.39Å; R130-A186 WeakPolarHBondContact O-CB 3.37Å; A134-A186 VanDerWaalsContact CA-O 3.31Å; A134-A186 WeakPolarHBondContact CA-O 3.49Å; A134-A186 HydrophobicContact CB-CB 4.33Å; A134-A186 VanDerWaalsContact CB-O 3.25Å; A134-A186 WeakPolarHBondContact CB-O 3.26Å; S182-A186 PolarHBondContact O-N 3.42Å; S182-A186 VanDerWaalsContact O-N 3.14Å; N183-A186 PolarHBondContact O-N 3.23Å; N183-A186 VanDerWaalsContact O-N 3.1Å; E184-A186 VanDerWaalsContact C-N 3.32Å; E184-A186 PolarHBondContact O-N 3.47Å; A186-W189 WeakPolarHBondContact O-CB 3.42Å; A186-W189 PolarHBondContact O-N 2.95Å; A186-G190 PolarHBondContact O-N 2.8Å; A186-F199 HydrophobicContact CB-CD2 4.2Å; A186-F199 HydrophobicContact CB-CE1 4.41Å; A186-F199 HydrophobicContact CB-CE2 3.93Å; A186-F199 HydrophobicContact CB-CZ 4.05Å
187E91Very high83.4Confident10 Ų1072.4 Ų72.45%0.04737%0.369CS..Hα-helixtrans-61.8-47.7174.8-65.4171.8149.500111.8N137 S155 R158 N183 E184 W189 G190 R191N137-E187 VanDerWaalsContact CB-O 3.31Å; N137-E187 WeakPolarHBondContact CB-O 3.49Å; N137-E187 WeakPolarHBondContact ND2-CG 3.4Å; S155-E187 VanDerWaalsContact CB-CD 3.47Å; S155-E187 WeakPolarHBondContact CB-OE1 3.47Å; S155-E187 WeakPolarHBondContact CB-OE2 3.24Å; S155-E187 PolarHBondContact OG-OE1 3.41Å; S155-E187 PolarHBondContact OG-OE2 3.1Å; R158-E187 IonicContact CZ-OE1 2.76Å; R158-E187 IonicContact NH1-OE1 3.29Å; R158-E187 PolarHBondContact NH1-OE1 2.83Å; R158-E187 IonicContact NH2-OE1 3.41Å; R158-E187 PolarHBondContact NH2-OE1 3.28Å; R158-E187 IonicContact NH2-OE2 3.93Å; N183-E187 VanDerWaalsContact O-CG 3.27Å; N183-E187 WeakPolarHBondContact O-CG 3.47Å; N183-E187 PolarHBondContact O-N 2.94Å; E184-E187 WeakPolarHBondContact O-CB 3.41Å; E184-E187 PolarHBondContact O-N 3.45Å; E187-W189 VanDerWaalsContact C-N 3.33Å; E187-W189 PolarHBondContact O-N 2.99Å; E187-G190 PolarHBondContact O-N 2.82Å; E187-R191 VanDerWaalsContact O-CB 3.3Å; E187-R191 WeakPolarHBondContact O-CB 3.25Å; E187-R191 PolarHBondContact O-N 3.04Å
188E92.8Very high85.6Confident110 Ų11073.1 Ų73.151%0.51436%0.361SS..Hα-helixtrans-61.7-41.5175.7-72.5-173.3160.300112E184 R191 S192E184-E188 WeakPolarHBondContact O-CG 3.23Å; E184-E188 PolarHBondContact O-N 3.34Å; E188-R191 PolarHBondContact O-N 3.31Å; E188-S192 WeakPolarHBondContact O-CB 3.34Å; E188-S192 PolarHBondContact O-N 3.46Å; E188-S192 PolarHBondContact O-OG 2.81Å
189W95.2Very high87.6Confident60 Ų6067.5 Ų67.523%0.22734%0.335CS..Hα-helixtrans-57.5-53.6176.4-178.4-87.1000111.4K185 A186 E187 R191 S192 K194 D195 R198 F199K185-W189 VanDerWaalsContact O-CB 3.28Å; K185-W189 WeakPolarHBondContact O-CB 3.31Å; K185-W189 PolarHBondContact O-N 2.93Å; A186-W189 WeakPolarHBondContact O-CB 3.42Å; A186-W189 PolarHBondContact O-N 2.95Å; E187-W189 VanDerWaalsContact C-N 3.33Å; E187-W189 PolarHBondContact O-N 2.99Å; W189-R191 PolarHBondContact O-N 2.82Å; W189-S192 PolarHBondContact O-N 3.2Å; W189-S192 PolarHBondContact O-OG 3.41Å; W189-K194 HydrophobicContact CD2-CB 3.8Å; W189-K194 HydrophobicContact CD2-CD 3.67Å; W189-K194 HydrophobicContact CD2-CG 4.41Å; W189-K194 HydrophobicContact CE3-CD 3.53Å; W189-K194 HydrophobicContact CG-CB 4.07Å; W189-K194 HydrophobicContact CG-CD 4.46Å; W189-K194 HydrophobicContact CH2-CB 4.33Å; W189-K194 HydrophobicContact CH2-CD 3.46Å; W189-K194 VanDerWaalsContact CH2-CD 3.46Å; W189-K194 HydrophobicContact CH2-CG 4.42Å; W189-K194 HydrophobicContact CZ2-CB 3.64Å; W189-K194 HydrophobicContact CZ2-CD 3.66Å; W189-K194 HydrophobicContact CZ2-CG 4.2Å; W189-K194 HydrophobicContact CZ3-CD 3.4Å; W189-K194 VanDerWaalsContact NE1-CB 3.34Å; W189-K194 PolarHBondContact O-N 3.06Å; W189-D195 PolarHBondContact NE1-O 3.12Å; W189-R198 HydrophobicContact CZ2-CB 4.43Å; W189-R198 HydrophobicContact CZ2-CG 4.46Å; W189-F199 HydrophobicContact CB-CE2 3.81Å; W189-F199 HydrophobicContact CB-CZ 4.18Å; W189-F199 AromaticContact CD1-CE2 3.61Å; W189-F199 HydrophobicContact CD2-CE2 4.38Å; W189-F199 AromaticContact CG-CE2 3.64Å; W189-F199 HydrophobicContact CG-CE2 3.64Å; W189-F199 HydrophobicContact CG-CZ 4.16Å
190G93.3Very high88.8Confident0 Ų066.3 Ų66.30%032%0.323CS..Hα-helixtrans-59.5-48.4177.500000112.3A134 Y138 A186 E187 S192 G193A134-G190 VanDerWaalsContact O-CA 3.31Å; A134-G190 WeakPolarHBondContact O-CA 3.28Å; Y138-G190 VanDerWaalsContact CA-O 3.27Å; Y138-G190 WeakPolarHBondContact CA-O 3.42Å; A186-G190 PolarHBondContact O-N 2.8Å; E187-G190 PolarHBondContact O-N 2.82Å; G190-S192 PolarHBondContact O-N 3.25Å; G190-G193 PolarHBondContact O-N 2.89Å
191R94.6Very high89.8Confident50 Ų5064.1 Ų64.119%0.18931%0.307CS..Hα-helixtrans-64.4-25.1-178.7-153.8-178.2-46.2147.213.1113.3N137 A141 V148 E187 E188 W189 G193N137-R191 HydrophobicContact CB-CB 4.09Å; N137-R191 PolarHBondContact OD1-NE 3.17Å; N137-R191 PolarHBondContact OD1-NH2 2.94Å; A141-R191 HydrophobicContact CB-CG 4.1Å; V148-R191 HydrophobicContact CG1-CG 4.24Å; E187-R191 VanDerWaalsContact O-CB 3.3Å; E187-R191 WeakPolarHBondContact O-CB 3.25Å; E187-R191 PolarHBondContact O-N 3.04Å; E188-R191 PolarHBondContact O-N 3.31Å; W189-R191 PolarHBondContact O-N 2.82Å; R191-G193 PolarHBondContact O-N 3.49Å
192S93.3Very high90.2Very high69 Ų6965 Ų6548%0.48332%0.319SS..THydrogen-bonded Turntrans-75.10.5173.3740000113.7E188 W189 G190 K194E188-S192 WeakPolarHBondContact O-CB 3.34Å; E188-S192 PolarHBondContact O-N 3.46Å; E188-S192 PolarHBondContact O-OG 2.81Å; W189-S192 PolarHBondContact O-N 3.2Å; W189-S192 PolarHBondContact O-OG 3.41Å; G190-S192 PolarHBondContact O-N 3.25Å; S192-K194 VanDerWaalsContact C-N 3.34Å; S192-K194 WeakPolarHBondContact OG-CD 3.41Å; S192-K194 WeakPolarHBondContact OG-CE 3.37Å; S192-K194 WeakPolarHBondContact OG-CG 3.24Å
193G91Very high90.5Very high39 Ų3967.1 Ų67.140%0.40234%0.344SS..THydrogen-bonded Turntrans80.614.5-179.700000113.6Y138 G190 R191Y138-G193 WeakPolarHBondContact CE2-O 3.39Å; G190-G193 PolarHBondContact O-N 2.89Å; R191-G193 PolarHBondContact O-N 3.49Å
194K94.8Very high90.6Very high100 Ų10067.2 Ų67.244%0.43534%0.344SS..  trans-88.5150.7177.7-61.5176.2-171173.70110.5W189 S192 P196W189-K194 HydrophobicContact CD2-CB 3.8Å; W189-K194 HydrophobicContact CD2-CD 3.67Å; W189-K194 HydrophobicContact CD2-CG 4.41Å; W189-K194 HydrophobicContact CE3-CD 3.53Å; W189-K194 HydrophobicContact CG-CB 4.07Å; W189-K194 HydrophobicContact CG-CD 4.46Å; W189-K194 HydrophobicContact CH2-CB 4.33Å; W189-K194 HydrophobicContact CH2-CD 3.46Å; W189-K194 VanDerWaalsContact CH2-CD 3.46Å; W189-K194 HydrophobicContact CH2-CG 4.42Å; W189-K194 HydrophobicContact CZ2-CB 3.64Å; W189-K194 HydrophobicContact CZ2-CD 3.66Å; W189-K194 HydrophobicContact CZ2-CG 4.2Å; W189-K194 HydrophobicContact CZ3-CD 3.4Å; W189-K194 VanDerWaalsContact NE1-CB 3.34Å; W189-K194 PolarHBondContact O-N 3.06Å; S192-K194 VanDerWaalsContact C-N 3.34Å; S192-K194 WeakPolarHBondContact OG-CD 3.41Å; S192-K194 WeakPolarHBondContact OG-CE 3.37Å; S192-K194 WeakPolarHBondContact OG-CG 3.24Å; K194-P196 WeakPolarHBondContact O-CD 3.02Å
195D94.2Very high90.6Very high99 Ų9964.6 Ų64.653%0.52934%0.336SS..  trans-58.5117.8-174.4-173.1-2.4000112.4W189 D197 R198W189-D195 PolarHBondContact NE1-O 3.12Å; D195-D197 PolarHBondContact O-N 3.1Å; D195-D197 WeakPolarHBondContact OD1-CB 3.43Å; D195-D197 PolarHBondContact OD1-N 3.35Å; D195-R198 PolarHBondContact O-N 3.43Å
196P92.9Very high90.4Very high9 Ų967.5 Ų67.56%0.05835%0.349CS..G310 helixtrans-60.8-25.3175.4-23.835.3000114Y131 A134 R135 Y138 K194 R198 F199Y131-P196 HydrophobicContact CD2-CB 4.17Å; Y131-P196 WeakPolarHBondContact CD2-O 2.9Å; Y131-P196 HydrophobicContact CE2-CB 4.03Å; A134-P196 HydrophobicContact CB-CB 3.97Å; R135-P196 HydrophobicContact CB-CB 4.07Å; R135-P196 HydrophobicContact CB-CG 4.26Å; R135-P196 HydrophobicContact CG-CG 4.47Å; Y138-P196 HydrophobicContact CD1-CG 4.32Å; Y138-P196 HydrophobicContact CD2-CG 4.37Å; Y138-P196 HydrophobicContact CG-CG 3.91Å; K194-P196 WeakPolarHBondContact O-CD 3.02Å; P196-R198 PolarHBondContact O-N 2.88Å; P196-F199 PolarHBondContact O-N 2.67Å
197D93.1Very high90.1Very high79 Ų7975.1 Ų75.142%0.42238%0.382SS..G310 helixtrans-60.6-16.1-177.5-84.1-18.4000112.8Y131 D195 F199 R200Y131-D197 VanDerWaalsContact CE2-OD1 3.28Å; Y131-D197 WeakPolarHBondContact CE2-OD1 3.19Å; D195-D197 PolarHBondContact O-N 3.1Å; D195-D197 WeakPolarHBondContact OD1-CB 3.43Å; D195-D197 PolarHBondContact OD1-N 3.35Å; D197-F199 PolarHBondContact O-N 3.48Å; D197-R200 HydrophobicContact CB-CB 4.49Å; D197-R200 WeakPolarHBondContact O-CB 3.47Å; D197-R200 PolarHBondContact O-N 3.4Å; D197-R200 WeakPolarHBondContact OD1-CD 3.46Å; D197-R200 IonicContact OD1-NH1 3.27Å; D197-R200 PolarHBondContact OD1-NH1 3.11Å
198R91.9Very high89.5Confident163 Ų16376 Ų7662%0.61539%0.385SS*.G310 helixtrans-47.4-32.2165.4176.7173179148.56.7113.6W189 D195 P196W189-R198 HydrophobicContact CZ2-CB 4.43Å; W189-R198 HydrophobicContact CZ2-CG 4.46Å; D195-R198 PolarHBondContact O-N 3.43Å; P196-R198 PolarHBondContact O-N 2.88Å
199F89.9Confident89.3Confident43 Ų4374.4 Ų74.419%0.18938%0.379CS..G310 helixtrans-107.33.5-177.9-56.9-73.2000113.4R130 Y131 A134 A186 W189 P196 D197 P201R130-F199 HydrophobicContact CB-CB 4.05Å; R130-F199 HydrophobicContact CB-CD1 4.21Å; R130-F199 HydrophobicContact CB-CG 4.21Å; Y131-F199 WeakPolarHBondContact CB-O 3.44Å; A134-F199 HydrophobicContact CB-CD2 3.82Å; A134-F199 HydrophobicContact CB-CE2 4.16Å; A186-F199 HydrophobicContact CB-CD2 4.2Å; A186-F199 HydrophobicContact CB-CE1 4.41Å; A186-F199 HydrophobicContact CB-CE2 3.93Å; A186-F199 HydrophobicContact CB-CZ 4.05Å; W189-F199 HydrophobicContact CB-CE2 3.81Å; W189-F199 HydrophobicContact CB-CZ 4.18Å; W189-F199 AromaticContact CD1-CE2 3.61Å; W189-F199 HydrophobicContact CD2-CE2 4.38Å; W189-F199 AromaticContact CG-CE2 3.64Å; W189-F199 HydrophobicContact CG-CE2 3.64Å; W189-F199 HydrophobicContact CG-CZ 4.16Å; P196-F199 PolarHBondContact O-N 2.67Å; D197-F199 PolarHBondContact O-N 3.48Å; F199-P201 WeakPolarHBondContact O-CD 3.41Å
200R89.6Confident89Confident67 Ų6775.1 Ų75.125%0.25339%0.387SS..PPolyproline II helixtrans-66122-175.5-169-178.4-165.196.810110.1Y131 D197 L204 P205 Y208Y131-R200 HydrophobicContact CD2-CB 3.87Å; Y131-R200 HydrophobicContact CD2-CG 4.3Å; Y131-R200 HydrophobicContact CE2-CB 4.25Å; Y131-R200 HydrophobicContact CE2-CG 4.4Å; Y131-R200 HydrophobicContact CG-CB 4.39Å; Y131-R200 PolarHBondContact OH-NH1 3.19Å; D197-R200 HydrophobicContact CB-CB 4.49Å; D197-R200 WeakPolarHBondContact O-CB 3.47Å; D197-R200 PolarHBondContact O-N 3.4Å; D197-R200 WeakPolarHBondContact OD1-CD 3.46Å; D197-R200 IonicContact OD1-NH1 3.27Å; D197-R200 PolarHBondContact OD1-NH1 3.11Å; R200-L204 HydrophobicContact CG-CB 4.37Å; R200-L204 HydrophobicContact CG-CD2 4.23Å; R200-L204 PolarHBondContact NH2-O 3.38Å; R200-P205 PolarHBondContact NH2-O 2.95Å; R200-Y208 VanDerWaalsContact CZ-O 3.27Å; R200-Y208 PolarHBondContact NH1-O 2.89Å; R200-Y208 PolarHBondContact NH2-O 2.91Å
201P86.9Confident88.7Confident26 Ų2679.3 Ų79.317%0.16941%0.408CS..PPolyproline II helixtrans-79.1151.9176.431.7-32.9000111.3F199 G203 L204F199-P201 WeakPolarHBondContact O-CD 3.41Å; P201-G203 PolarHBondContact O-N 3.09Å; P201-L204 HydrophobicContact CG-CB 4.1Å; P201-L204 WeakPolarHBondContact O-CB 3.47Å; P201-L204 PolarHBondContact O-N 2.76Å
202D85.1Confident88.4Confident166 Ų16681 Ų8189%0.88842%0.421SS*.THydrogen-bonded Turntrans-59.1133.5175.1-68.3-31.2000111
203G83.4Confident88.1Confident62 Ų6281.8 Ų81.864%0.63942%0.417SS*.THydrogen-bonded Turntrans85.2-1.9-179.900000115.7H125 P201 P205H125-G203 PolarHBondContact CE1-O 3.41Å; P201-G203 PolarHBondContact O-N 3.09Å; G203-P205 WeakPolarHBondContact O-CD 3.36Å
204L83.1Confident87.9Confident9 Ų984.6 Ų84.65%0.04742%0.418CS..  trans-64.7121.5173.8-17070000110.6H125 Y131 R200 P201 K206 Y208H125-L204 HydrophobicContact CB-CD1 4.06Å; Y131-L204 HydrophobicContact CD1-CD2 3.31Å; Y131-L204 HydrophobicContact CE1-CD2 3.48Å; Y131-L204 VanDerWaalsContact CE1-CD2 3.48Å; Y131-L204 HydrophobicContact CG-CD2 4.17Å; R200-L204 HydrophobicContact CG-CB 4.37Å; R200-L204 HydrophobicContact CG-CD2 4.23Å; R200-L204 PolarHBondContact NH2-O 3.38Å; P201-L204 HydrophobicContact CG-CB 4.1Å; P201-L204 WeakPolarHBondContact O-CB 3.47Å; P201-L204 PolarHBondContact O-N 2.76Å; L204-K206 PolarHBondContact O-N 3.49Å; L204-Y208 HydrophobicContact CD1-CD2 3.99Å; L204-Y208 HydrophobicContact CG-CD2 4.18Å
205P86.4Confident87.4Confident49 Ų4983.5 Ų83.532%0.31842%0.417SS..  trans-53.3138.1-176.9-3035.9000112.8R200 G203 K207 Y208R200-P205 PolarHBondContact NH2-O 2.95Å; G203-P205 WeakPolarHBondContact O-CD 3.36Å; P205-K207 HydrophobicContact CB-CG 4.08Å; P205-K207 PolarHBondContact O-N 2.9Å; P205-Y208 HydrophobicContact CB-CD2 3.89Å; P205-Y208 HydrophobicContact CB-CE2 4.01Å; P205-Y208 HydrophobicContact CG-CD2 4.12Å; P205-Y208 HydrophobicContact CG-CE2 3.92Å; P205-Y208 PolarHBondContact O-N 3.47Å
206K85.5Confident86.9Confident208 Ų20882.3 Ų82.390%0.90441%0.409SS*.THydrogen-bonded Turntrans-59.2-15.6-178.3-68.2-172.7177.1-176.20115.2L204 Y208L204-K206 PolarHBondContact O-N 3.49Å; K206-Y208 PolarHBondContact O-N 2.8Å
207K84.7Confident86.4Confident160 Ų16088.4 Ų88.470%0.69644%0.438SS*.THydrogen-bonded Turntrans-70.9-15.4176.568.9176-172.3172.60113.3P205P205-K207 HydrophobicContact CB-CG 4.08Å; P205-K207 PolarHBondContact O-N 2.9Å
208Y77.1Confident85.8Confident29 Ų2989.3 Ų89.311%0.11444%0.439CS..  trans-101.70176.4-55.3-62.1000111.1D119 Y131 R135 R200 L204 P205 K206D119-Y208 HydrophobicContact CB-CD1 3.95Å; D119-Y208 HydrophobicContact CB-CE1 4.1Å; Y131-Y208 WeakPolarHBondContact CE1-OXT 3.46Å; Y131-Y208 VanDerWaalsContact OH-C 3.23Å; Y131-Y208 PolarHBondContact OH-O 2.64Å; Y131-Y208 PolarHBondContact OH-OXT 3.21Å; R135-Y208 VanDerWaalsContact CD-OXT 3.28Å; R135-Y208 WeakPolarHBondContact CD-OXT 3.43Å; R135-Y208 PolarHBondContact NH1-OXT 2.88Å; R200-Y208 VanDerWaalsContact CZ-O 3.27Å; R200-Y208 PolarHBondContact NH1-O 2.89Å; R200-Y208 PolarHBondContact NH2-O 2.91Å; L204-Y208 HydrophobicContact CD1-CD2 3.99Å; L204-Y208 HydrophobicContact CG-CD2 4.18Å; P205-Y208 HydrophobicContact CB-CD2 3.89Å; P205-Y208 HydrophobicContact CB-CE2 4.01Å; P205-Y208 HydrophobicContact CG-CD2 4.12Å; P205-Y208 HydrophobicContact CG-CE2 3.92Å; P205-Y208 PolarHBondContact O-N 3.47Å; K206-Y208 PolarHBondContact O-N 2.8Å

Retrieved 208 of 208 residues in 73.4 ms (Link to these results)

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