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Protachykinin-1

Tachykinins are active peptides which excite neurons, evoke behavioral responses, are potent vasodilators and secretagogues, and contract (directly or indirectly) many smooth muscles.

AlphaFold DB , UniProt , Accession A0A096NWZ1, Species PAPAN (Papio anubis, Olive baboon), Gene TAC1, Length 129 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
1M67.6Low86.5Confident190 Ų190118.8 Ų118.894%0.93662%0.623SS**  0-52.70-55.1-41.8-158.600113.7I3 L4 V5M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 PolarHBondContact O-N 3.32Å; M1-L4 PolarHBondContact O-N 3.29Å; M1-V5 PolarHBondContact O-N 3.31Å
2K81.8Confident86.5Confident185 Ų185117.6 Ų117.680%0.80462%0.616SS**Hα-helixtrans-61.9-34.3-175.2-63.2178.4178.6-1790115V5 A6K2-V5 PolarHBondContact O-N 3.34Å; K2-A6 PolarHBondContact O-N 2.95Å
3I88.6Confident86.6Confident131 Ų131115.3 Ų115.367%0.67261%0.61SS**Hα-helixtrans-67.1-40.2179.6-61.9160.6000111.3M1 V5 A6 L7M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 PolarHBondContact O-N 3.32Å; I3-V5 VanDerWaalsContact C-N 3.32Å; I3-V5 PolarHBondContact O-N 3.35Å; I3-A6 PolarHBondContact O-N 3.49Å; I3-L7 HydrophobicContact CG2-CD1 4.23Å; I3-L7 WeakPolarHBondContact O-CG 3.47Å; I3-L7 PolarHBondContact O-N 2.96Å
4L89.3Confident86.3Confident120 Ų120110.5 Ų110.563%0.62859%0.59SS**Hα-helixtrans-65.4-38.7176.3-66.2174.2000111.4M1 L7 A8M1-L4 PolarHBondContact O-N 3.29Å; L4-L7 PolarHBondContact O-N 3.47Å; L4-A8 WeakPolarHBondContact O-CB 3.32Å; L4-A8 PolarHBondContact O-N 2.96Å
5V86.1Confident85.7Confident94 Ų94107.8 Ų107.857%0.5758%0.58SS**Hα-helixtrans-65.9-44175.9177.60000110.8M1 K2 I3 L7 A8 V9M1-V5 PolarHBondContact O-N 3.31Å; K2-V5 PolarHBondContact O-N 3.34Å; I3-V5 VanDerWaalsContact C-N 3.32Å; I3-V5 PolarHBondContact O-N 3.35Å; V5-L7 VanDerWaalsContact C-N 3.35Å; V5-L7 PolarHBondContact O-N 2.98Å; V5-A8 PolarHBondContact O-N 3.29Å; V5-V9 WeakPolarHBondContact O-CG2 3.37Å; V5-V9 PolarHBondContact O-N 3.36Å
6A90.5Very high85.2Confident61 Ų61109.1 Ų109.150%0.50458%0.581SS.*Hα-helixtrans-62.7-41.1177.200000112.2K2 I3 V9 F10K2-A6 PolarHBondContact O-N 2.95Å; I3-A6 PolarHBondContact O-N 3.49Å; A6-V9 PolarHBondContact O-N 2.96Å; A6-F10 WeakPolarHBondContact O-CB 3.4Å; A6-F10 PolarHBondContact O-N 3.47Å
7L89.7Confident84.5Confident99 Ų99110.2 Ų110.252%0.51859%0.586SS.*Hα-helixtrans-64.8-41.6175-76.1171000112.2I3 L4 V5 F10 F11I3-L7 HydrophobicContact CG2-CD1 4.23Å; I3-L7 WeakPolarHBondContact O-CG 3.47Å; I3-L7 PolarHBondContact O-N 2.96Å; L4-L7 PolarHBondContact O-N 3.47Å; V5-L7 VanDerWaalsContact C-N 3.35Å; V5-L7 PolarHBondContact O-N 2.98Å; L7-F10 PolarHBondContact O-N 2.98Å; L7-F11 WeakPolarHBondContact O-CB 3.41Å; L7-F11 PolarHBondContact O-N 3.44Å
8A89.1Confident83.4Confident53 Ų53110.7 Ų110.744%0.43858%0.583SS.*Hα-helixtrans-64.3-41.5177.500000112.2L4 V5 F11 L12L4-A8 WeakPolarHBondContact O-CB 3.32Å; L4-A8 PolarHBondContact O-N 2.96Å; V5-A8 PolarHBondContact O-N 3.29Å; A8-F11 PolarHBondContact O-N 3.47Å; A8-L12 WeakPolarHBondContact O-CB 3.47Å; A8-L12 PolarHBondContact O-N 2.91Å
9V91.1Very high82.4Confident83 Ų83107.9 Ų107.950%0.50358%0.577SS.*Hα-helixtrans-65.9-42175.9174.30000110.8V5 A6 L12 V13V5-V9 WeakPolarHBondContact O-CG2 3.37Å; V5-V9 PolarHBondContact O-N 3.36Å; A6-V9 PolarHBondContact O-N 2.96Å; V9-L12 PolarHBondContact O-N 3.06Å; V9-V13 WeakPolarHBondContact O-CG2 3.4Å; V9-V13 PolarHBondContact O-N 2.75Å
10F90.8Very high81.3Confident143 Ų143110.1 Ų110.163%0.62758%0.584SS**Hα-helixtrans-60.2-48.2175.5-174.9-98.8000111.3A6 L7 L12 V13 S14A6-F10 WeakPolarHBondContact O-CB 3.4Å; A6-F10 PolarHBondContact O-N 3.47Å; L7-F10 PolarHBondContact O-N 2.98Å; F10-L12 VanDerWaalsContact C-N 3.34Å; F10-L12 PolarHBondContact O-N 3.13Å; F10-V13 PolarHBondContact O-N 3.39Å; F10-S14 PolarHBondContact O-N 3.5Å; F10-S14 PolarHBondContact O-OG 2.92Å
11F87.3Confident80.3Confident148 Ų148112.2 Ų112.265%0.64959%0.59SS**Hα-helixtrans-59.1-43.4177.5-124.7-87.9000112.2L7 A8 V13 S14 T15L7-F11 WeakPolarHBondContact O-CB 3.41Å; L7-F11 PolarHBondContact O-N 3.44Å; A8-F11 PolarHBondContact O-N 3.47Å; F11-V13 PolarHBondContact O-N 2.85Å; F11-S14 PolarHBondContact O-N 3.27Å; F11-T15 HydrophobicContact CD1-CG2 4.22Å; F11-T15 VanDerWaalsContact O-CG2 3.26Å; F11-T15 WeakPolarHBondContact O-CG2 3.4Å; F11-T15 PolarHBondContact O-N 3.35Å; F11-T15 PolarHBondContact O-OG1 3.11Å; F11-T15 VanDerWaalsContact O-OG1 3.13Å
12L86.9Confident79.8Confident104 Ų104109.5 Ų109.555%0.54558%0.577SS.*Hα-helixtrans-60-46.5177.4-91.3160.9000112.2A8 V9 F10 T15 Q16A8-L12 WeakPolarHBondContact O-CB 3.47Å; A8-L12 PolarHBondContact O-N 2.91Å; V9-L12 PolarHBondContact O-N 3.06Å; F10-L12 VanDerWaalsContact C-N 3.34Å; F10-L12 PolarHBondContact O-N 3.13Å; L12-T15 WeakPolarHBondContact CA-OG1 3.42Å; L12-T15 PolarHBondContact O-N 2.91Å; L12-T15 PolarHBondContact O-OG1 3.07Å; L12-Q16 WeakPolarHBondContact O-CG 3.4Å; L12-Q16 PolarHBondContact O-N 3.5Å; L12-Q16 VanDerWaalsContact O-N 3.07Å
13V87.4Confident78.4Confident88 Ų88102.2 Ų102.253%0.53355%0.554SS.*Hα-helixtrans-65.7-41178175.70000111V9 F10 F11 T15 Q16 L17V9-V13 WeakPolarHBondContact O-CG2 3.4Å; V9-V13 PolarHBondContact O-N 2.75Å; F10-V13 PolarHBondContact O-N 3.39Å; F11-V13 PolarHBondContact O-N 2.85Å; V13-T15 PolarHBondContact O-N 3.44Å; V13-Q16 PolarHBondContact O-N 3.34Å; V13-L17 PolarHBondContact O-N 3.03Å; V13-L17 VanDerWaalsContact O-N 3.11Å
14S82.9Confident76.7Confident48 Ų4898.8 Ų98.834%0.33655%0.546SS..Hα-helixtrans-63.2-40.9175.6-54.40000112.3F10 F11 Q16 L17 F18F10-S14 PolarHBondContact O-N 3.5Å; F10-S14 PolarHBondContact O-OG 2.92Å; F11-S14 PolarHBondContact O-N 3.27Å; S14-Q16 VanDerWaalsContact C-N 3.35Å; S14-Q16 PolarHBondContact O-N 3.35Å; S14-L17 PolarHBondContact O-N 2.98Å; S14-F18 WeakPolarHBondContact O-CB 3.26Å; S14-F18 PolarHBondContact O-N 3.32Å
15T77.3Confident75.2Confident70 Ų7098.7 Ų98.743%0.42955%0.545SS..Hα-helixtrans-67.2-34.1177.8540000112.7F11 L12 V13 A19F11-T15 HydrophobicContact CD1-CG2 4.22Å; F11-T15 VanDerWaalsContact O-CG2 3.26Å; F11-T15 WeakPolarHBondContact O-CG2 3.4Å; F11-T15 PolarHBondContact O-N 3.35Å; F11-T15 PolarHBondContact O-OG1 3.11Å; F11-T15 VanDerWaalsContact O-OG1 3.13Å; L12-T15 WeakPolarHBondContact CA-OG1 3.42Å; L12-T15 PolarHBondContact O-N 2.91Å; L12-T15 PolarHBondContact O-OG1 3.07Å; V13-T15 PolarHBondContact O-N 3.44Å; T15-A19 WeakPolarHBondContact O-CB 3.47Å; T15-A19 PolarHBondContact O-N 3.43Å
16Q76.4Confident73.8Confident129 Ų129100.1 Ų100.160%0.60355%0.55SS*.Hα-helixtrans-68.4-44.3175.6-73.5177-4.200111.5L12 V13 S14 F18 A19 E20L12-Q16 WeakPolarHBondContact O-CG 3.4Å; L12-Q16 PolarHBondContact O-N 3.5Å; L12-Q16 VanDerWaalsContact O-N 3.07Å; V13-Q16 PolarHBondContact O-N 3.34Å; S14-Q16 VanDerWaalsContact C-N 3.35Å; S14-Q16 PolarHBondContact O-N 3.35Å; Q16-F18 VanDerWaalsContact C-N 3.29Å; Q16-F18 PolarHBondContact O-N 3.12Å; Q16-A19 PolarHBondContact O-N 3.22Å; Q16-E20 WeakPolarHBondContact O-CB 3.2Å; Q16-E20 PolarHBondContact O-N 3.49Å
17L74.2Confident72.2Confident128 Ų128102.4 Ų102.467%0.6755%0.554SS**Hα-helixtrans-61.1-39.4176.5-163.880.5000111.7V13 S14 E21V13-L17 PolarHBondContact O-N 3.03Å; V13-L17 VanDerWaalsContact O-N 3.11Å; S14-L17 PolarHBondContact O-N 2.98Å; L17-E21 PolarHBondContact O-N 3.43Å
18F64.3Low70.8Confident119 Ų119103.9 Ų103.952%0.52256%0.561SS.*Hα-helixtrans-77.6-33.7179.4-151.4-98.6000113S14 Q16 E20 E21 M22S14-F18 WeakPolarHBondContact O-CB 3.26Å; S14-F18 PolarHBondContact O-N 3.32Å; Q16-F18 VanDerWaalsContact C-N 3.29Å; Q16-F18 PolarHBondContact O-N 3.12Å; F18-E20 VanDerWaalsContact C-N 3.34Å; F18-E21 PolarHBondContact O-N 2.84Å; F18-M22 HydrophobicContact CD1-CE 4.48Å; F18-M22 HydrophobicContact CD1-CG 4.49Å; F18-M22 HydrophobicContact CD1-SD 3.98Å; F18-M22 HydrophobicContact CE1-CE 3.55Å; F18-M22 HydrophobicContact CE1-CG 4.38Å; F18-M22 HydrophobicContact CE1-SD 3.6Å; F18-M22 VanDerWaalsContact CE1-SD 3.6Å; F18-M22 HydrophobicContact CZ-CE 4.05Å; F18-M22 PolarHBondContact O-N 3.46Å; F18-M22 VanDerWaalsContact O-N 3.12Å
19A63.8Low69.5Low58 Ų58106.2 Ų106.248%0.47957%0.567SS.*Hα-helixtrans-70.4-30.6175.400000112.2T15 Q16 E21 M22 G23T15-A19 WeakPolarHBondContact O-CB 3.47Å; T15-A19 PolarHBondContact O-N 3.43Å; Q16-A19 PolarHBondContact O-N 3.22Å; A19-E21 VanDerWaalsContact C-N 3.31Å; A19-M22 PolarHBondContact O-N 2.88Å; A19-G23 WeakPolarHBondContact O-CA 3.04Å; A19-G23 PolarHBondContact O-N 3.38Å
20E61.5Low68Low151 Ų151109.3 Ų109.371%0.70657%0.57SS**Hα-helixtrans-67.8-33.2172.9-166.5170-175.400111.6Q16 F18Q16-E20 WeakPolarHBondContact O-CB 3.2Å; Q16-E20 PolarHBondContact O-N 3.49Å; F18-E20 VanDerWaalsContact C-N 3.34Å
21E59.3Low66.5Low155 Ų155112.2 Ų112.272%0.72458%0.577SS**Hα-helixtrans-75.3-30.3176-162.1172.9-175.700113L17 F18 A19L17-E21 PolarHBondContact O-N 3.43Å; F18-E21 PolarHBondContact O-N 2.84Å; A19-E21 VanDerWaalsContact C-N 3.31Å
22M56.7Low65.3Low133 Ų133107.8 Ų107.866%0.65557%0.565SS**Hα-helixtrans-99.8-28.8-178.9-75.6-170.2161.800115.8F18 A19F18-M22 HydrophobicContact CD1-CE 4.48Å; F18-M22 HydrophobicContact CD1-CG 4.49Å; F18-M22 HydrophobicContact CD1-SD 3.98Å; F18-M22 HydrophobicContact CE1-CE 3.55Å; F18-M22 HydrophobicContact CE1-CG 4.38Å; F18-M22 HydrophobicContact CE1-SD 3.6Å; F18-M22 VanDerWaalsContact CE1-SD 3.6Å; F18-M22 HydrophobicContact CZ-CE 4.05Å; F18-M22 PolarHBondContact O-N 3.46Å; F18-M22 VanDerWaalsContact O-N 3.12Å; A19-M22 PolarHBondContact O-N 2.88Å
23G52.4Low64.2Low32 Ų32108.7 Ų108.733%0.3357%0.57SS.*Hα-helixtrans-100.2-11.3-160.900000116.5A19A19-G23 WeakPolarHBondContact O-CA 3.04Å; A19-G23 PolarHBondContact O-N 3.38Å
24A54.9Low62.9Low59 Ų59112.9 Ų112.949%0.48858%0.576SS.*THydrogen-bonded Turntrans-82.1-24.6-172.600000114.3
25N56.2Low61.8Low117 Ų117114.8 Ų114.863%0.62659%0.59SS**THydrogen-bonded Turntrans-107.5-35.6-168.9-69-60.7000114.6N29N25-N29 PolarHBondContact O-ND2 3.35Å
26D58Low60.8Low124 Ų124116.2 Ų116.266%0.66360%0.595SS**Hα-helixtrans-92.6-41.8-173.5-78.5-9000113.2L28 N29 Y30D26-L28 PolarHBondContact O-N 3.49Å; D26-N29 PolarHBondContact O-N 3.4Å; D26-Y30 WeakPolarHBondContact O-CB 3.36Å; D26-Y30 PolarHBondContact O-N 3.12Å
27D57.3Low59.9Low109 Ų109111.3 Ų111.358%0.58358%0.575SS**Hα-helixtrans-69.3-33.9-178.7-80.8-10.9000112.6N29 W31D27-N29 VanDerWaalsContact C-N 3.34Å; D27-W31 PolarHBondContact O-N 3.33Å
28L60.3Low59.1Low130 Ų130109.8 Ų109.868%0.68157%0.567SS**Hα-helixtrans-68-36.5177-128.996.9000111.6D26 S32D26-L28 PolarHBondContact O-N 3.49Å; L28-S32 PolarHBondContact O-N 2.78Å; L28-S32 PolarHBondContact O-OG 3.46Å
29N61.4Low58.6Low102 Ų102111.1 Ų111.155%0.54558%0.575SS.*Hα-helixtrans-77.4-33.6178.6-78.2-37.3000112.6N25 D26 D27 W31 S32 D33N25-N29 PolarHBondContact O-ND2 3.35Å; D26-N29 PolarHBondContact O-N 3.4Å; D27-N29 VanDerWaalsContact C-N 3.34Å; N29-W31 PolarHBondContact O-N 3.05Å; N29-S32 VanDerWaalsContact CA-OG 3.27Å; N29-S32 WeakPolarHBondContact CA-OG 3.46Å; N29-S32 PolarHBondContact O-N 2.95Å; N29-S32 PolarHBondContact O-OG 2.93Å; N29-S32 VanDerWaalsContact O-OG 3.05Å; N29-D33 WeakPolarHBondContact O-CB 3.1Å; N29-D33 PolarHBondContact O-N 3.34Å
30Y58.3Low58.2Low149 Ų149113.9 Ų113.958%0.58458%0.581SS**Hα-helixtrans-63.4-40.2176.3-176.7-101.5000112.7D26 W34D26-Y30 WeakPolarHBondContact O-CB 3.36Å; D26-Y30 PolarHBondContact O-N 3.12Å; Y30-W34 PolarHBondContact O-N 3.47Å
31W59.2Low57.8Low203 Ų203112.6 Ų112.677%0.76957%0.573SS**Hα-helixtrans-75.9-32.6178.7-84.874.3000113.5D27 N29 S35D27-W31 PolarHBondContact O-N 3.33Å; N29-W31 PolarHBondContact O-N 3.05Å; W31-S35 PolarHBondContact O-N 2.79Å
32S62.6Low57.7Low56 Ų56113.9 Ų113.939%0.39258%0.579SS.*Hα-helixtrans-73.1-35.717644.60000112.3L28 N29 W34 S35 D36L28-S32 PolarHBondContact O-N 2.78Å; L28-S32 PolarHBondContact O-OG 3.46Å; N29-S32 VanDerWaalsContact CA-OG 3.27Å; N29-S32 WeakPolarHBondContact CA-OG 3.46Å; N29-S32 PolarHBondContact O-N 2.95Å; N29-S32 PolarHBondContact O-OG 2.93Å; N29-S32 VanDerWaalsContact O-OG 3.05Å; S32-W34 VanDerWaalsContact C-N 3.32Å; S32-W34 PolarHBondContact O-N 3.4Å; S32-S35 WeakPolarHBondContact O-CB 3.43Å; S32-S35 PolarHBondContact O-N 3.13Å; S32-S35 PolarHBondContact O-OG 3.37Å; S32-D36 PolarHBondContact O-N 3.16Å
33D63.6Low57.6Low122 Ų122116 Ų11665%0.65259%0.587SS**Hα-helixtrans-65.2-35173.9-161.246.7000111.8N29 S35 D36N29-D33 WeakPolarHBondContact O-CB 3.1Å; N29-D33 PolarHBondContact O-N 3.34Å; D33-S35 VanDerWaalsContact C-N 3.29Å; D33-S35 PolarHBondContact O-N 3.16Å; D33-D36 PolarHBondContact O-N 3.46Å
34W61.3Low57.9Low176 Ų176117.4 Ų117.467%0.66759%0.586SS**Hα-helixtrans-65.2-31.8170.3-162.1-69000112.5Y30 S32 D36 S37Y30-W34 PolarHBondContact O-N 3.47Å; S32-W34 VanDerWaalsContact C-N 3.32Å; S32-W34 PolarHBondContact O-N 3.4Å; W34-D36 VanDerWaalsContact C-N 3.29Å; W34-D36 PolarHBondContact O-N 2.94Å; W34-S37 WeakPolarHBondContact O-CB 3.46Å; W34-S37 PolarHBondContact O-N 3.45Å; W34-S37 PolarHBondContact O-OG 3.24Å
35S59.4Low58.2Low88 Ų88118.1 Ų118.162%0.61559%0.586SS**Hα-helixtrans-72.5-24.2178.387.30000112.8W31 S32 D33 S37W31-S35 PolarHBondContact O-N 2.79Å; S32-S35 WeakPolarHBondContact O-CB 3.43Å; S32-S35 PolarHBondContact O-N 3.13Å; S32-S35 PolarHBondContact O-OG 3.37Å; D33-S35 VanDerWaalsContact C-N 3.29Å; D33-S35 PolarHBondContact O-N 3.16Å; S35-S37 PolarHBondContact O-N 2.87Å
36D56Low58.4Low100 Ų100119.6 Ų119.654%0.53559%0.59SS.*THydrogen-bonded Turntrans-83.812174.6-144.523.5000112.7S32 D33 W34 D38 Q39S32-D36 PolarHBondContact O-N 3.16Å; D33-D36 PolarHBondContact O-N 3.46Å; W34-D36 VanDerWaalsContact C-N 3.29Å; W34-D36 PolarHBondContact O-N 2.94Å; D36-D38 PolarHBondContact O-N 3.49Å; D36-Q39 PolarHBondContact O-N 3.39Å
37S57.7Low58.5Low26 Ų26118 Ų11818%0.18259%0.586CS.*THydrogen-bonded Turntrans-59.711.5171.656.80000115.3W34 S35 Q39 I40 K41W34-S37 WeakPolarHBondContact O-CB 3.46Å; W34-S37 PolarHBondContact O-N 3.45Å; W34-S37 PolarHBondContact O-OG 3.24Å; S35-S37 PolarHBondContact O-N 2.87Å; S37-Q39 PolarHBondContact O-N 2.9Å; S37-I40 WeakPolarHBondContact O-CB 3.13Å; S37-I40 PolarHBondContact O-N 3.39Å; S37-I40 VanDerWaalsContact O-N 3.11Å; S37-K41 WeakPolarHBondContact O-CG 3.03Å; S37-K41 PolarHBondContact O-N 2.77Å; S37-K41 VanDerWaalsContact O-N 3.14Å
38D57.1Low58.9Low97 Ų97117.8 Ų117.852%0.51958%0.58SS.*Hα-helixtrans-62.2-29.9164.9-75.1-18.4000111.4D36 K41D36-D38 PolarHBondContact O-N 3.49Å; D38-K41 PolarHBondContact O-N 2.82Å; D38-K41 IonicContact OD1-NZ 2.87Å; D38-K41 PolarHBondContact OD1-NZ 3.32Å
39Q54.4Low59.2Low147 Ų147116.8 Ų116.869%0.68757%0.572SS**Hα-helixtrans-67.6-33.8168.7-79.2179.521.200113D36 S37 K41 E42D36-Q39 PolarHBondContact O-N 3.39Å; S37-Q39 PolarHBondContact O-N 2.9Å; Q39-K41 VanDerWaalsContact C-N 3.27Å; Q39-K41 PolarHBondContact O-N 3.49Å; Q39-E42 PolarHBondContact O-N 2.81Å
40I53.8Low59.4Low115 Ų115117.3 Ų117.359%0.5957%0.571SS**Hα-helixtrans-71.6-25.8178.5-62.6171.7000111S37 L44S37-I40 WeakPolarHBondContact O-CB 3.13Å; S37-I40 PolarHBondContact O-N 3.39Å; S37-I40 VanDerWaalsContact O-N 3.11Å; I40-L44 PolarHBondContact O-N 2.84Å
41K54.2Low59.9Low125 Ų125114 Ų11454%0.54356%0.563SS.*Hα-helixtrans-72.2-30.1174.4-67.7172.9-166.6158.70112.6S37 D38 Q39S37-K41 WeakPolarHBondContact O-CG 3.03Å; S37-K41 PolarHBondContact O-N 2.77Å; S37-K41 VanDerWaalsContact O-N 3.14Å; D38-K41 PolarHBondContact O-N 2.82Å; D38-K41 IonicContact OD1-NZ 2.87Å; D38-K41 PolarHBondContact OD1-NZ 3.32Å; Q39-K41 VanDerWaalsContact C-N 3.27Å; Q39-K41 PolarHBondContact O-N 3.49Å
42E56.3Low60.5Low181 Ų181108.4 Ų108.485%0.84655%0.547SS*.Hα-helixtrans-74.6-23.4179.2-75.7-171.4159.500113.6Q39Q39-E42 PolarHBondContact O-N 2.81Å
43E56.1Low60.9Low179 Ų179110 Ų11084%0.83655%0.549SS*.SBendtrans-101.7-0.1-179.4-117.4-173.9-175.300114.1P45E43-P45 WeakPolarHBondContact O-CD 3.25Å
44L58.3Low61.1Low60 Ų60113.6 Ų113.631%0.31455%0.553SS.*SBendtrans-72.7118.8-178.1-159.270.5000108.8I40 E46 F48 L52I40-L44 PolarHBondContact O-N 2.84Å; L44-E46 PolarHBondContact O-N 2.96Å; L44-F48 HydrophobicContact CD1-CB 4.21Å; L44-F48 HydrophobicContact CD1-CG 4.39Å; L44-F48 HydrophobicContact CD2-CB 3.68Å; L44-F48 HydrophobicContact CD2-CG 4.43Å; L44-F48 HydrophobicContact CG-CB 3.65Å; L44-F48 HydrophobicContact CG-CG 4.35Å; L44-L52 HydrophobicContact CD2-CD1 3.97Å
45P60.8Low61.3Low74 Ų74110.6 Ų110.648%0.48155%0.549SS..  trans-59.2131-175.322-31.6000109.4E43 P47 F48E43-P45 WeakPolarHBondContact O-CD 3.25Å; P45-P47 HydrophobicContact CB-CG 3.9Å; P45-P47 HydrophobicContact CG-CG 4.37Å; P45-P47 WeakPolarHBondContact O-CD 3.46Å; P45-P47 WeakPolarHBondContact O-CG 3.45Å; P45-F48 PolarHBondContact O-N 2.79Å
46E59.2Low61.8Low149 Ų149110.3 Ų110.370%0.69655%0.552SS**Hα-helixtrans-28-41.4175.6-73.6-177.2155.700116.4L44 F48 E49 H50L44-E46 PolarHBondContact O-N 2.96Å; E46-F48 VanDerWaalsContact C-N 3.27Å; E46-F48 PolarHBondContact O-N 3.33Å; E46-E49 PolarHBondContact O-N 2.77Å; E46-H50 PolarHBondContact O-CD2 3.32Å; E46-H50 VanDerWaalsContact O-CD2 3.3Å; E46-H50 PolarHBondContact O-N 3.29Å
47P62.1Low62.2Low90 Ų90113.8 Ų113.858%0.58456%0.557SS**Hα-helixtrans-54.9-35.1173.819.7-36.8000115.5P45 L51P45-P47 HydrophobicContact CB-CG 3.9Å; P45-P47 HydrophobicContact CG-CG 4.37Å; P45-P47 WeakPolarHBondContact O-CD 3.46Å; P45-P47 WeakPolarHBondContact O-CG 3.45Å; P47-L51 WeakPolarHBondContact O-CB 3.19Å; P47-L51 PolarHBondContact O-N 3.26Å; P47-L51 VanDerWaalsContact O-N 3.07Å
48F63.8Low62.2Low105 Ų105123.3 Ų123.346%0.46159%0.589SS.*Hα-helixtrans-76.2-34.8-177.2-107.6-87000112.2L44 P45 E46 H50 L51 L52L44-F48 HydrophobicContact CD1-CB 4.21Å; L44-F48 HydrophobicContact CD1-CG 4.39Å; L44-F48 HydrophobicContact CD2-CB 3.68Å; L44-F48 HydrophobicContact CD2-CG 4.43Å; L44-F48 HydrophobicContact CG-CB 3.65Å; L44-F48 HydrophobicContact CG-CG 4.35Å; P45-F48 PolarHBondContact O-N 2.79Å; E46-F48 VanDerWaalsContact C-N 3.27Å; E46-F48 PolarHBondContact O-N 3.33Å; F48-H50 VanDerWaalsContact C-N 3.29Å; F48-H50 PolarHBondContact O-N 3.41Å; F48-L51 HydrophobicContact CD1-CD2 4.23Å; F48-L51 HydrophobicContact CE1-CD2 4.15Å; F48-L51 PolarHBondContact O-N 3.48Å; F48-L52 WeakPolarHBondContact O-CB 3.45Å; F48-L52 VanDerWaalsContact O-CG 3.28Å; F48-L52 WeakPolarHBondContact O-CG 3.46Å; F48-L52 PolarHBondContact O-N 3.47Å
49E66.8Low62.3Low109 Ų109124.2 Ų124.251%0.50960%0.601SS.*Hα-helixtrans-59.3-44.3172.7-62.4-161.3147.600111E46 L51 L52 Q53E46-E49 PolarHBondContact O-N 2.77Å; E49-L51 PolarHBondContact O-N 3.04Å; E49-L52 PolarHBondContact O-N 3.04Å; E49-Q53 WeakPolarHBondContact O-CB 3.42Å; E49-Q53 PolarHBondContact O-N 3.24Å
50H65.9Low62.4Low113 Ų113126.2 Ų126.252%0.52361%0.607SS.*Hα-helixtrans-68.4-34.2177.4-68.2-46.7000113.1E46 F48 R54E46-H50 PolarHBondContact O-CD2 3.32Å; E46-H50 VanDerWaalsContact O-CD2 3.3Å; E46-H50 PolarHBondContact O-N 3.29Å; F48-H50 VanDerWaalsContact C-N 3.29Å; F48-H50 PolarHBondContact O-N 3.41Å; H50-R54 VanDerWaalsContact O-CB 3.25Å; H50-R54 WeakPolarHBondContact O-CB 3.37Å; H50-R54 PolarHBondContact O-N 3.38Å
51L70.2Confident62.5Low79 Ų79126 Ų12641%0.41461%0.613SS.*Hα-helixtrans-67.6-48.9174.6-174.6108.2000110.9P47 F48 E49 Q53 R54 I55P47-L51 WeakPolarHBondContact O-CB 3.19Å; P47-L51 PolarHBondContact O-N 3.26Å; P47-L51 VanDerWaalsContact O-N 3.07Å; F48-L51 HydrophobicContact CD1-CD2 4.23Å; F48-L51 HydrophobicContact CE1-CD2 4.15Å; F48-L51 PolarHBondContact O-N 3.48Å; E49-L51 PolarHBondContact O-N 3.04Å; L51-Q53 VanDerWaalsContact C-N 3.32Å; L51-Q53 PolarHBondContact O-N 3.05Å; L51-R54 CarbonylContact O-C 3.54Å; L51-R54 WeakPolarHBondContact O-CA 3.27Å; L51-R54 WeakPolarHBondContact O-CB 3.36Å; L51-R54 PolarHBondContact O-N 3.05Å; L51-R54 VanDerWaalsContact O-N 3.09Å; L51-I55 HydrophobicContact CD2-CD1 3.69Å; L51-I55 HydrophobicContact CG-CD1 3.89Å; L51-I55 VanDerWaalsContact O-CG1 3.28Å; L51-I55 WeakPolarHBondContact O-CG1 3.34Å; L51-I55 PolarHBondContact O-N 2.9Å
52L71.6Confident62.7Low86 Ų86127.2 Ų127.245%0.4562%0.621SS.*Hα-helixtrans-63.4-40.1177.3-70175.2000110.8L44 F48 E49 R54 I55 A56L44-L52 HydrophobicContact CD2-CD1 3.97Å; F48-L52 WeakPolarHBondContact O-CB 3.45Å; F48-L52 VanDerWaalsContact O-CG 3.28Å; F48-L52 WeakPolarHBondContact O-CG 3.46Å; F48-L52 PolarHBondContact O-N 3.47Å; E49-L52 PolarHBondContact O-N 3.04Å; L52-R54 VanDerWaalsContact C-N 3.29Å; L52-R54 PolarHBondContact O-N 3.03Å; L52-I55 PolarHBondContact O-N 2.97Å; L52-A56 WeakPolarHBondContact O-CB 3.23Å; L52-A56 PolarHBondContact O-N 2.97Å
53Q71.2Confident62.9Low89 Ų89126.1 Ų126.142%0.41662%0.616SS.*Hα-helixtrans-64.5-33.8173.7-167.217748.500112E49 L51 R57E49-Q53 WeakPolarHBondContact O-CB 3.42Å; E49-Q53 PolarHBondContact O-N 3.24Å; L51-Q53 VanDerWaalsContact C-N 3.32Å; L51-Q53 PolarHBondContact O-N 3.05Å; Q53-R57 WeakPolarHBondContact O-CB 3.2Å; Q53-R57 WeakPolarHBondContact O-CG 3.49Å; Q53-R57 PolarHBondContact O-N 2.72Å
54R65.9Low63.1Low198 Ų198125.4 Ų125.475%0.74761%0.61SS**Hα-helixtrans-71.9-31.6173.2-176-177.4-69.2174.4-0.5112.7H50 L51 L52 R57H50-R54 VanDerWaalsContact O-CB 3.25Å; H50-R54 WeakPolarHBondContact O-CB 3.37Å; H50-R54 PolarHBondContact O-N 3.38Å; L51-R54 CarbonylContact O-C 3.54Å; L51-R54 WeakPolarHBondContact O-CA 3.27Å; L51-R54 WeakPolarHBondContact O-CB 3.36Å; L51-R54 PolarHBondContact O-N 3.05Å; L51-R54 VanDerWaalsContact O-N 3.09Å; L52-R54 VanDerWaalsContact C-N 3.29Å; L52-R54 PolarHBondContact O-N 3.03Å; R54-R57 VanDerWaalsContact O-O 3.05Å
55I67.1Low63Low113 Ų113131 Ų13158%0.57963%0.632SS**Hα-helixtrans-79.1-43.7177.1-67.3164.2000110.6L51 L52L51-I55 HydrophobicContact CD2-CD1 3.69Å; L51-I55 HydrophobicContact CG-CD1 3.89Å; L51-I55 VanDerWaalsContact O-CG1 3.28Å; L51-I55 WeakPolarHBondContact O-CG1 3.34Å; L51-I55 PolarHBondContact O-N 2.9Å; L52-I55 PolarHBondContact O-N 2.97Å
56A68.4Low63Low82 Ų82129.9 Ų129.968%0.67864%0.635SS**Hα-helixtrans-70.5-32.7-179.600000112.3L52 R58L52-A56 WeakPolarHBondContact O-CB 3.23Å; L52-A56 PolarHBondContact O-N 2.97Å; A56-R58 PolarHBondContact O-N 2.73Å; A56-R58 VanDerWaalsContact O-N 3.07Å
57R64.6Low63.2Low172 Ų172131.6 Ų131.665%0.64965%0.648SS**SBendtrans-74.997.8165.3-69.7177.3-179.3-171.12.9107.6Q53 R54Q53-R57 WeakPolarHBondContact O-CB 3.2Å; Q53-R57 WeakPolarHBondContact O-CG 3.49Å; Q53-R57 PolarHBondContact O-N 2.72Å; R54-R57 VanDerWaalsContact O-O 3.05Å
58R57.7Low62.8Low226 Ų226134.8 Ų134.885%0.85366%0.656SS**  trans-32.7132176.3-65.8-142.2-177.9-163.41.9111.4A56 K60A56-R58 PolarHBondContact O-N 2.73Å; A56-R58 VanDerWaalsContact O-N 3.07Å; R58-K60 PolarHBondContact O-N 2.65Å
59P59.8Low62.7Low117 Ų117132.3 Ų132.376%0.7666%0.66SS**  trans-53.9117.7174.422.9-31.7000107.2P61P59-P61 VanDerWaalsContact O-N 3.16Å
60K55.9Low62.4Low189 Ų189135.1 Ų135.182%0.82267%0.671SS**  trans-44.5125.7177.9-159.6174.1-170.7175.50106R58 Q62R58-K60 PolarHBondContact O-N 2.65Å; K60-Q62 VanDerWaalsContact C-N 3.33Å; K60-Q62 WeakPolarHBondContact O-CA 3.17Å; K60-Q62 PolarHBondContact O-N 2.73Å
61P57.2Low62.3Low111 Ų111140 Ų14072%0.72169%0.685SS**  trans-49.1108.1-175.419.4-31.5000105.9P59 Q63P59-P61 VanDerWaalsContact O-N 3.16Å; P61-Q63 PolarHBondContact O-N 2.72Å
62Q56.8Low61.6Low150 Ų150141.3 Ų141.370%0.70169%0.693SS**  trans-63.3102.2-174.9-157.7171-2.800101.4K60 F64K60-Q62 VanDerWaalsContact C-N 3.33Å; K60-Q62 WeakPolarHBondContact O-CA 3.17Å; K60-Q62 PolarHBondContact O-N 2.73Å; Q62-F64 HydrophobicContact CB-CD2 4.39Å; Q62-F64 HydrophobicContact CB-CE2 4Å; Q62-F64 HydrophobicContact CB-CZ 4.25Å; Q62-F64 HydrophobicContact CG-CZ 4.32Å; Q62-F64 WeakPolarHBondContact O-CD2 3.21Å; Q62-F64 PolarHBondContact O-N 2.93Å
63Q62.1Low60.7Low157 Ų157140.7 Ų140.773%0.73470%0.699SS**  trans-65.183.9173.8-73.1177.5-34.500102.8P61 F65P61-Q63 PolarHBondContact O-N 2.72Å; Q63-F65 HydrophobicContact CB-CD2 4.23Å; Q63-F65 HydrophobicContact CB-CE2 4.25Å; Q63-F65 PolarHBondContact O-N 3.07Å
64F59.2Low59.9Low165 Ų165143.1 Ų143.172%0.72472%0.716SS**  trans-56.890.8153.6-61.8-76.6000101.8Q62 G66Q62-F64 HydrophobicContact CB-CD2 4.39Å; Q62-F64 HydrophobicContact CB-CE2 4Å; Q62-F64 HydrophobicContact CB-CZ 4.25Å; Q62-F64 HydrophobicContact CG-CZ 4.32Å; Q62-F64 WeakPolarHBondContact O-CD2 3.21Å; Q62-F64 PolarHBondContact O-N 2.93Å; F64-G66 PolarHBondContact O-N 2.75Å
65F57.3Low59.6Low176 Ų176135.6 Ų135.677%0.77269%0.693SS**  trans-57.192.9155.6-88.3-85.9000102.5Q63 L67Q63-F65 HydrophobicContact CB-CD2 4.23Å; Q63-F65 HydrophobicContact CB-CE2 4.25Å; Q63-F65 PolarHBondContact O-N 3.07Å; F65-L67 PolarHBondContact O-N 3.01Å
66G60.5Low59.2Low52 Ų52134.7 Ų134.754%0.53670%0.697SS.*  trans-51.8119.2178.400000105.5F64 M68F64-G66 PolarHBondContact O-N 2.75Å; G66-M68 PolarHBondContact O-N 2.64Å
67L62.1Low58.9Low185 Ų185136.5 Ų136.597%0.96969%0.694SS**SBendtrans-58.33154.1-77165.5000111.2F65 G69F65-L67 PolarHBondContact O-N 3.01Å; L67-G69 PolarHBondContact O-N 2.72Å
68M55.8Low58.8Low156 Ų156134.3 Ų134.377%0.76869%0.691SS**SBendtrans-75.685.9161.7-149.3159100.400107.9G66G66-M68 PolarHBondContact O-N 2.64Å
69G60.9Low59Low53 Ų53129.6 Ų129.655%0.54668%0.677SS.*  trans-42.9142.1179.900000112.5L67 R71L67-G69 PolarHBondContact O-N 2.72Å; G69-R71 PolarHBondContact O-N 3.3Å
70K60.6Low59.2Low169 Ų169130.9 Ų130.974%0.73567%0.672SS**  trans-41.597.8172.3-158.3-172.2-177.5-127.90109.9D72K70-D72 VanDerWaalsContact C-N 3.26Å; K70-D72 WeakPolarHBondContact CE-OD1 3.08Å; K70-D72 WeakPolarHBondContact CG-OD1 3.17Å; K70-D72 IonicContact NZ-OD1 2.77Å; K70-D72 PolarHBondContact NZ-OD1 3.28Å; K70-D72 IonicContact NZ-OD2 2.72Å; K70-D72 PolarHBondContact NZ-OD2 2.8Å; K70-D72 PolarHBondContact O-N 3.49Å; K70-D72 VanDerWaalsContact O-N 3.16Å
71R63.8Low59.8Low214 Ų214126 Ų12681%0.80866%0.658SS**  trans-82.485.3166.3-80.8-177.5154.1111.3-3.6105.2G69 A73G69-R71 PolarHBondContact O-N 3.3Å; R71-A73 PolarHBondContact O-N 3.36Å; R71-A73 VanDerWaalsContact O-N 3.13Å
72D54.3Low60.2Low108 Ų108123.4 Ų123.458%0.57865%0.646SS**  trans-61.8116.7165.7-71-35.1000106.9K70K70-D72 VanDerWaalsContact C-N 3.26Å; K70-D72 WeakPolarHBondContact CE-OD1 3.08Å; K70-D72 WeakPolarHBondContact CG-OD1 3.17Å; K70-D72 IonicContact NZ-OD1 2.77Å; K70-D72 PolarHBondContact NZ-OD1 3.28Å; K70-D72 IonicContact NZ-OD2 2.72Å; K70-D72 PolarHBondContact NZ-OD2 2.8Å; K70-D72 PolarHBondContact O-N 3.49Å; K70-D72 VanDerWaalsContact O-N 3.16Å
73A53.8Low60.7Low72 Ų72121.9 Ų121.960%0.59564%0.642SS**  trans-72.6133.8-178.700000110.1R71 S75R71-A73 PolarHBondContact O-N 3.36Å; R71-A73 VanDerWaalsContact O-N 3.13Å; A73-S75 PolarHBondContact O-N 3.01Å
74D54.3Low61.1Low141 Ų141119.2 Ų119.275%0.75463%0.633SS**  trans41.974.8137.5-51.5-26.1000118.7
75S58.8Low61.6Low40 Ų40119.1 Ų119.128%0.2863%0.632SS.*  trans-141.3125.1133.877.10000109.3A73 I77 E78 K79A73-S75 PolarHBondContact O-N 3.01Å; S75-I77 PolarHBondContact O-N 3.46Å; S75-I77 VanDerWaalsContact O-N 3.12Å; S75-E78 PolarHBondContact O-N 3.29Å; S75-E78 WeakPolarHBondContact OG-CB 3.28Å; S75-E78 WeakPolarHBondContact OG-CG 3.39Å; S75-E78 PolarHBondContact OG-N 2.86Å; S75-E78 PolarHBondContact OG-OE2 3.18Å; S75-K79 PolarHBondContact O-N 3.18Å
76S59.9Low61.9Low93 Ų93114.1 Ų114.165%0.6562%0.623SS**Hα-helixtrans-61.7-22.5-177.268.70000112.6Q80S76-Q80 PolarHBondContact O-N 3.09Å
77I61.9Low62.1Low120 Ų120118.4 Ų118.462%0.61563%0.633SS**Hα-helixtrans-73.9-43.7179.5-57.3174.4000110.4S75 K79 Q80 V81S75-I77 PolarHBondContact O-N 3.46Å; S75-I77 VanDerWaalsContact O-N 3.12Å; I77-K79 VanDerWaalsContact C-N 3.27Å; I77-K79 PolarHBondContact O-N 2.94Å; I77-Q80 PolarHBondContact O-N 3.47Å; I77-Q80 VanDerWaalsContact O-N 3.16Å; I77-V81 WeakPolarHBondContact O-CG2 3.28Å; I77-V81 PolarHBondContact O-N 3.14Å
78E61.5Low62Low126 Ų126119 Ų11959%0.58962%0.624SS**Hα-helixtrans-66.9-28.7178-73169.5167.700112.4S75 V81 A82S75-E78 PolarHBondContact O-N 3.29Å; S75-E78 WeakPolarHBondContact OG-CB 3.28Å; S75-E78 WeakPolarHBondContact OG-CG 3.39Å; S75-E78 PolarHBondContact OG-N 2.86Å; S75-E78 PolarHBondContact OG-OE2 3.18Å; E78-V81 PolarHBondContact O-N 3.43Å; E78-A82 WeakPolarHBondContact O-CB 3.25Å; E78-A82 PolarHBondContact O-N 3.4Å
79K63Low62Low128 Ų128113.7 Ų113.756%0.55761%0.609SS**Hα-helixtrans-65.7-39.2172.4-68.1-178.9-176.8173.40112.3S75 I77 L83S75-K79 PolarHBondContact O-N 3.18Å; I77-K79 VanDerWaalsContact C-N 3.27Å; I77-K79 PolarHBondContact O-N 2.94Å; K79-L83 WeakPolarHBondContact O-CB 3.47Å; K79-L83 WeakPolarHBondContact O-CG 3.5Å; K79-L83 PolarHBondContact O-N 2.81Å
80Q64.3Low61.6Low143 Ų143120.2 Ų120.267%0.66862%0.624SS**Hα-helixtrans-69.4-40.8176.6-69.2-173.7-8.900111.5S76 I77 L83 L84S76-Q80 PolarHBondContact O-N 3.09Å; I77-Q80 PolarHBondContact O-N 3.47Å; I77-Q80 VanDerWaalsContact O-N 3.16Å; Q80-L83 PolarHBondContact O-N 2.82Å; Q80-L84 WeakPolarHBondContact O-CB 3.13Å; Q80-L84 PolarHBondContact O-N 3.49Å
81V67.5Low61.5Low87 Ų87114.5 Ų114.553%0.52761%0.614SS.*Hα-helixtrans-67.6-38.3175.4176.40000111.3I77 E78 L84 K85I77-V81 WeakPolarHBondContact O-CG2 3.28Å; I77-V81 PolarHBondContact O-N 3.14Å; E78-V81 PolarHBondContact O-N 3.43Å; V81-L84 PolarHBondContact O-N 3.48Å; V81-K85 WeakPolarHBondContact O-CB 3.49Å; V81-K85 PolarHBondContact O-N 2.95Å
82A66.5Low61.1Low57 Ų57113.1 Ų113.147%0.47162%0.617SS.*Hα-helixtrans-66.6-39.3174.900000112.2E78 K85 A86E78-A82 WeakPolarHBondContact O-CB 3.25Å; E78-A82 PolarHBondContact O-N 3.4Å; A82-K85 PolarHBondContact O-N 3.37Å; A82-A86 VanDerWaalsContact O-CB 3.25Å; A82-A86 WeakPolarHBondContact O-CB 3.36Å; A82-A86 PolarHBondContact O-N 3.49Å
83L66.6Low61Low117 Ų117116 Ų11661%0.61363%0.63SS**Hα-helixtrans-65.1-43.9173.6-83.9172.1000112K79 Q80 K85 A86 L87K79-L83 WeakPolarHBondContact O-CB 3.47Å; K79-L83 WeakPolarHBondContact O-CG 3.5Å; K79-L83 PolarHBondContact O-N 2.81Å; Q80-L83 PolarHBondContact O-N 2.82Å; L83-K85 VanDerWaalsContact C-N 3.33Å; L83-K85 PolarHBondContact O-N 3.11Å; L83-A86 PolarHBondContact O-N 3.45Å; L83-L87 WeakPolarHBondContact O-CB 3.49Å; L83-L87 WeakPolarHBondContact O-CG 3.46Å; L83-L87 PolarHBondContact O-N 3.3Å
84L71.6Confident61.2Low102 Ų102116 Ų11653%0.53463%0.626SS.*Hα-helixtrans-61.2-44.6174.1-166.675.1000110.6Q80 V81 A86 L87 Y88Q80-L84 WeakPolarHBondContact O-CB 3.13Å; Q80-L84 PolarHBondContact O-N 3.49Å; V81-L84 PolarHBondContact O-N 3.48Å; L84-A86 VanDerWaalsContact C-N 3.29Å; L84-A86 PolarHBondContact O-N 3.22Å; L84-L87 PolarHBondContact O-N 3.07Å; L84-Y88 HydrophobicContact CD1-CD2 4.12Å; L84-Y88 HydrophobicContact CD1-CE2 3.79Å; L84-Y88 HydrophobicContact CG-CD2 4.16Å; L84-Y88 HydrophobicContact CG-CE2 4.28Å; L84-Y88 WeakPolarHBondContact O-CD2 3.34Å; L84-Y88 PolarHBondContact O-N 3.42Å
85K68.7Low61.3Low163 Ų163116.8 Ų116.871%0.70962%0.624SS**Hα-helixtrans-66.6-29.1177.4-164.2168.9-174.2174.10112.8V81 A82 L83 G89V81-K85 WeakPolarHBondContact O-CB 3.49Å; V81-K85 PolarHBondContact O-N 2.95Å; A82-K85 PolarHBondContact O-N 3.37Å; L83-K85 VanDerWaalsContact C-N 3.33Å; L83-K85 PolarHBondContact O-N 3.11Å; K85-G89 VanDerWaalsContact O-CA 3.23Å; K85-G89 WeakPolarHBondContact O-CA 3.12Å; K85-G89 PolarHBondContact O-N 3.42Å
86A64.4Low61.2Low70 Ų70124.9 Ų124.958%0.57966%0.655SS**Hα-helixtrans-76.2-35173.300000112.7A82 L83 L84A82-A86 VanDerWaalsContact O-CB 3.25Å; A82-A86 WeakPolarHBondContact O-CB 3.36Å; A82-A86 PolarHBondContact O-N 3.49Å; L83-A86 PolarHBondContact O-N 3.45Å; L84-A86 VanDerWaalsContact C-N 3.29Å; L84-A86 PolarHBondContact O-N 3.22Å
87L64Low61.1Low142 Ų142130.4 Ų130.474%0.74366%0.661SS**Hα-helixtrans-70.9-35.7176.9-78.2160.7000112.4L83 L84L83-L87 WeakPolarHBondContact O-CB 3.49Å; L83-L87 WeakPolarHBondContact O-CG 3.46Å; L83-L87 PolarHBondContact O-N 3.3Å; L84-L87 PolarHBondContact O-N 3.07Å
88Y61.1Low60.8Low198 Ų198131.2 Ų131.278%0.77666%0.662SS**Hα-helixtrans-93.5-15.9177.2-75.8-88000113.8L84 H90L84-Y88 HydrophobicContact CD1-CD2 4.12Å; L84-Y88 HydrophobicContact CD1-CE2 3.79Å; L84-Y88 HydrophobicContact CG-CD2 4.16Å; L84-Y88 HydrophobicContact CG-CE2 4.28Å; L84-Y88 WeakPolarHBondContact O-CD2 3.34Å; L84-Y88 PolarHBondContact O-N 3.42Å; Y88-H90 PolarHBondContact O-N 3.27Å
89G54.8Low60.6Low44 Ų44133.9 Ų133.945%0.45467%0.672SS.*  trans-93.475.8-175.700000112.8K85 G91K85-G89 VanDerWaalsContact O-CA 3.23Å; K85-G89 WeakPolarHBondContact O-CA 3.12Å; K85-G89 PolarHBondContact O-N 3.42Å; G89-G91 PolarHBondContact O-N 3.37Å
90H53.2Low60.3Low190 Ų190131.7 Ų131.788%0.8867%0.669SS**  trans-51.3108.7165.4-172.771.9000110.5Y88Y88-H90 PolarHBondContact O-N 3.27Å
91G58.1Low59.8Low50 Ų50130.1 Ų130.152%0.51567%0.666SS.*  trans67.853.7144.500000117.9G89G89-G91 PolarHBondContact O-N 3.37Å
92Q56Low59.2Low185 Ų185129.9 Ų129.986%0.86467%0.668SS**  trans-103.838.5153.8-67.8-137.5-24.300113.1S94Q92-S94 PolarHBondContact O-N 2.8Å
93I51.8Low58.6Low168 Ų168134.5 Ų134.586%0.86268%0.677SS**  trans-80.946.8142.4-60.1135.5000107.4H95I93-H95 PolarHBondContact O-N 3.3Å
94S56.7Low58.1Low71 Ų71132.7 Ų132.750%0.49767%0.671SS.*  trans-103.262.5-178.9176.30000108.8Q92Q92-S94 PolarHBondContact O-N 2.8Å
95H57.8Low57.4Low158 Ų158131.5 Ų131.573%0.73168%0.683SS**  trans-145.254.7148.2-79-59.9000109.9I93 R97I93-H95 PolarHBondContact O-N 3.3Å; H95-R97 PolarHBondContact O-N 3.24Å
96K56.7Low57Low211 Ų211131.5 Ų131.592%0.91769%0.69SS**  trans-69.161.7140.7-85.7-164.3177.4-170.50108.4
97R56.1Low56.6Low209 Ų209135 Ų13579%0.78970%0.697SS**  trans-91.3104.8169.2-96.4-168.2173.3-145.4-1.4107.8H95H95-R97 PolarHBondContact O-N 3.24Å
98H56.6Low56.3Low136 Ų136131 Ų13163%0.6369%0.689SS**  trans45.481.4152-132.7-82.9000117.1T100H98-T100 PolarHBondContact CE1-OG1 3.03Å; H98-T100 PolarHBondContact ND1-OG1 3.43Å; H98-T100 PolarHBondContact O-N 2.66Å
99K57.8Low56.2Low182 Ų182130.6 Ų130.679%0.79169%0.691SS**THydrogen-bonded Turntrans-73.819.3174.9-133.7179.2-167.8-168.50114.2S102K99-S102 PolarHBondContact O-OG 3.09Å
100T55.8Low56.2Low82 Ų82139.1 Ų139.150%0.50371%0.71SS.*THydrogen-bonded Turntrans-91.6-23.5174.770.90000112.3H98H98-T100 PolarHBondContact CE1-OG1 3.03Å; H98-T100 PolarHBondContact ND1-OG1 3.43Å; H98-T100 PolarHBondContact O-N 2.66Å
101D53.8Low56.3Low111 Ų111133 Ų13359%0.59469%0.693SS**G310 helixtrans-97.3-10.7-173.5-710.9000112.9F103 V104D101-F103 PolarHBondContact O-N 3.19Å; D101-V104 HydrophobicContact CB-CG2 4.4Å; D101-V104 WeakPolarHBondContact O-CB 3.44Å; D101-V104 PolarHBondContact O-N 3.33Å; D101-V104 VanDerWaalsContact O-N 3.09Å
102S56.1Low56.1Low81 Ų81139 Ų13957%0.56671%0.712SS**G310 helixtrans-66.7-12172.431.50000113.9K99K99-S102 PolarHBondContact O-OG 3.09Å
103F53.4Low55.9Low155 Ų155135.6 Ų135.668%0.6870%0.7SS**G310 helixtrans-100.3-2.6172.3-67.6-75.2000113.8D101 G105D101-F103 PolarHBondContact O-N 3.19Å; F103-G105 PolarHBondContact O-N 3.5Å
104V56.3Low56Low78 Ų78131.6 Ų131.647%0.47369%0.686SS.*THydrogen-bonded Turntrans-76.9-9.1179.7-178.60000112D101D101-V104 HydrophobicContact CB-CG2 4.4Å; D101-V104 WeakPolarHBondContact O-CB 3.44Å; D101-V104 PolarHBondContact O-N 3.33Å; D101-V104 VanDerWaalsContact O-N 3.09Å
105G56.9Low56Low77 Ų77133.2 Ų133.279%0.79469%0.693SS**THydrogen-bonded Turntrans-87.3-17.7176.400000115.5F103F103-G105 PolarHBondContact O-N 3.5Å
106L60.5Low55.9Low164 Ų164128.6 Ų128.686%0.85968%0.682SS**THydrogen-bonded Turntrans-108.5-28-173.8-145.7148000112.6G108L106-G108 PolarHBondContact O-N 3.48Å
107M56.3Low56Low144 Ų144127.4 Ų127.471%0.70967%0.673SS**SBendtrans-95.397.1169-154.8180-75.500107.6K109M107-K109 PolarHBondContact O-N 2.95Å
108G56.7Low56.2Low57 Ų57124 Ų12459%0.58867%0.666SS**  trans-41.7137.6-174.500000113.2L106 R110L106-G108 PolarHBondContact O-N 3.48Å; G108-R110 VanDerWaalsContact C-N 3.31Å; G108-R110 PolarHBondContact O-N 2.73Å
109K58.4Low56.3Low190 Ų190126.4 Ų126.483%0.82667%0.67SS**  trans-53.591.4177.5-65.1-163.2-179.1-170.20110.5M107 A111M107-K109 PolarHBondContact O-N 2.95Å; K109-A111 PolarHBondContact O-N 3.48Å
110R55.8Low56.4Low222 Ų222120 Ų12084%0.83865%0.648SS**  trans-78.386.8157.6-73.6-171.9-81.7-173.2-3.8105.7G108 L112G108-R110 VanDerWaalsContact C-N 3.31Å; G108-R110 PolarHBondContact O-N 2.73Å; R110-L112 PolarHBondContact O-N 3.06Å
111A54.1Low57Low63 Ų63118.5 Ų118.552%0.52164%0.644SS.*  trans-54.5137.1174.500000108.9K109 N113K109-A111 PolarHBondContact O-N 3.48Å; A111-N113 PolarHBondContact O-N 2.77Å
112L54.7Low57.7Low176 Ų176120 Ų12092%0.92165%0.649SS**THydrogen-bonded Turntrans-6423174.4-67167.9000113.6R110R110-L112 PolarHBondContact O-N 3.06Å
113N52.9Low58.3Low113 Ų113122.5 Ų122.560%0.60465%0.652SS**THydrogen-bonded Turntrans-115.313.7-176.7-65.4-23.5000112.5A111 V115 A116 Y117A111-N113 PolarHBondContact O-N 2.77Å; N113-V115 PolarHBondContact O-N 3.21Å; N113-A116 WeakPolarHBondContact O-CB 3.46Å; N113-A116 PolarHBondContact O-N 3.01Å; N113-Y117 PolarHBondContact O-N 3.24Å
114S53.5Low59.2Low83 Ų83119.1 Ų119.158%0.5864%0.641SS**Hα-helixtrans-57.2-36.3-179.156.10000112.6A116 Y117 E118S114-A116 VanDerWaalsContact C-N 3.31Å; S114-A116 PolarHBondContact O-N 3.5Å; S114-Y117 PolarHBondContact O-N 3.48Å; S114-E118 PolarHBondContact O-N 3.14Å; S114-E118 VanDerWaalsContact O-N 3.1Å
115V55.7Low60Low105 Ų105123.7 Ų123.764%0.63665%0.651SS**Hα-helixtrans-66.5-33.1176.9-174.80000111.9N113 R119N113-V115 PolarHBondContact O-N 3.21Å; V115-R119 WeakPolarHBondContact O-CB 3.38Å; V115-R119 PolarHBondContact O-N 3.37Å; V115-R119 VanDerWaalsContact O-N 3.14Å
116A56.4Low60.6Low61 Ų61127.2 Ų127.250%0.50465%0.646SS.*Hα-helixtrans-71.3-40.817800000111.4N113 S114 R119 S120N113-A116 WeakPolarHBondContact O-CB 3.46Å; N113-A116 PolarHBondContact O-N 3.01Å; S114-A116 VanDerWaalsContact C-N 3.31Å; S114-A116 PolarHBondContact O-N 3.5Å; A116-R119 PolarHBondContact O-N 3.43Å; A116-S120 PolarHBondContact O-N 2.94Å; A116-S120 VanDerWaalsContact O-N 3.08Å; A116-S120 PolarHBondContact O-OG 2.98Å
117Y58.5Low60.9Low186 Ų186129.6 Ų129.673%0.72964%0.644SS**Hα-helixtrans-64.7-44.9177.6-171.6-99000111.7N113 S114 R119 S120 A121N113-Y117 PolarHBondContact O-N 3.24Å; S114-Y117 PolarHBondContact O-N 3.48Å; Y117-R119 PolarHBondContact O-N 3.1Å; Y117-S120 WeakPolarHBondContact CA-OG 3.36Å; Y117-S120 PolarHBondContact O-N 2.81Å; Y117-S120 PolarHBondContact O-OG 3.25Å; Y117-A121 WeakPolarHBondContact O-CB 3.43Å; Y117-A121 PolarHBondContact O-N 2.9Å
118E59.3Low61.4Low139 Ų139133.4 Ų133.465%0.6565%0.65SS**Hα-helixtrans-63.1-42.4179.1-158.7174.6-159.600111.8S114 S120 A121 M122S114-E118 PolarHBondContact O-N 3.14Å; S114-E118 VanDerWaalsContact O-N 3.1Å; E118-S120 PolarHBondContact O-N 3.08Å; E118-A121 PolarHBondContact O-N 2.8Å; E118-M122 PolarHBondContact O-N 3.36Å
119R59.2Low61.3Low186 Ų186143.7 Ų143.770%0.70267%0.672SS**Hα-helixtrans-65-39.5177.2-151.4177.9-163.8177.53.7112.6V115 A116 Y117 Q123V115-R119 WeakPolarHBondContact O-CB 3.38Å; V115-R119 PolarHBondContact O-N 3.37Å; V115-R119 VanDerWaalsContact O-N 3.14Å; A116-R119 PolarHBondContact O-N 3.43Å; Y117-R119 PolarHBondContact O-N 3.1Å; R119-Q123 WeakPolarHBondContact O-CG 3.42Å; R119-Q123 PolarHBondContact O-N 3.22Å; R119-Q123 VanDerWaalsContact O-N 3.14Å
120S60.9Low61.4Low48 Ų48141.4 Ų141.434%0.33666%0.664SS.*Hα-helixtrans-70.2-34.2174.548.90000113A116 Y117 E118 N124A116-S120 PolarHBondContact O-N 2.94Å; A116-S120 VanDerWaalsContact O-N 3.08Å; A116-S120 PolarHBondContact O-OG 2.98Å; Y117-S120 WeakPolarHBondContact CA-OG 3.36Å; Y117-S120 PolarHBondContact O-N 2.81Å; Y117-S120 PolarHBondContact O-OG 3.25Å; E118-S120 PolarHBondContact O-N 3.08Å; S120-N124 PolarHBondContact O-N 3.47Å; S120-N124 PolarHBondContact O-ND2 3.32Å
121A67.2Low61.7Low50 Ų50137.2 Ų137.241%0.41366%0.655SS.*Hα-helixtrans-66.5-42.9175.600000111.2Y117 E118 N124 Y125Y117-A121 WeakPolarHBondContact O-CB 3.43Å; Y117-A121 PolarHBondContact O-N 2.9Å; E118-A121 PolarHBondContact O-N 2.8Å; A121-N124 PolarHBondContact O-N 3.2Å; A121-Y125 PolarHBondContact O-N 3.19Å
122M69.3Low62.2Low141 Ų141141.3 Ų141.370%0.69566%0.662SS**Hα-helixtrans-67-41.9-179.9-146.4173.9-17300112.3E118 N124 Y125 E126E118-M122 PolarHBondContact O-N 3.36Å; M122-N124 VanDerWaalsContact C-N 3.34Å; M122-N124 PolarHBondContact O-N 3.26Å; M122-Y125 PolarHBondContact O-N 3.14Å; M122-E126 PolarHBondContact O-N 3.25Å
123Q67.9Low62.6Low135 Ų135139.2 Ų139.263%0.63165%0.647SS**Hα-helixtrans-63.1-36.5175.1-77.9-178.3-2000113.3R119 Y125 R127R119-Q123 WeakPolarHBondContact O-CG 3.42Å; R119-Q123 PolarHBondContact O-N 3.22Å; R119-Q123 VanDerWaalsContact O-N 3.14Å; Q123-Y125 VanDerWaalsContact C-N 3.31Å; Q123-R127 PolarHBondContact O-N 3.43Å
124N72.3Confident63.2Low83 Ų83140.9 Ų140.944%0.44465%0.65SS.*Hα-helixtrans-71.7-26.5177.3-80.4-59000112.8S120 A121 M122 R128S120-N124 PolarHBondContact O-N 3.47Å; S120-N124 PolarHBondContact O-ND2 3.32Å; A121-N124 PolarHBondContact O-N 3.2Å; M122-N124 VanDerWaalsContact C-N 3.34Å; M122-N124 PolarHBondContact O-N 3.26Å; N124-R128 WeakPolarHBondContact O-CG 3.42Å
125Y74.6Confident63.9Low175 Ų175144.7 Ų144.769%0.68665%0.654SS**Hα-helixtrans-72.3-45.3176.2-171.2-97000111.7A121 M122 Q123 R127 R128A121-Y125 PolarHBondContact O-N 3.19Å; M122-Y125 PolarHBondContact O-N 3.14Å; Q123-Y125 VanDerWaalsContact C-N 3.31Å; Y125-R127 VanDerWaalsContact C-N 3.31Å; Y125-R127 PolarHBondContact O-N 3.21Å; Y125-R128 PolarHBondContact O-N 3.34Å
126E67.9Low64.5Low150 Ų150147.6 Ų147.670%0.70166%0.656SS**Hα-helixtrans-65.6-32178.3-70.4-159.8158.300113.3M122 R128 R129M122-E126 PolarHBondContact O-N 3.25Å; E126-R128 PolarHBondContact O-N 3.4Å; E126-R129 PolarHBondContact O-N 3.39Å
127R67.1Low65.1Low215 Ų215154.2 Ų154.281%0.81167%0.667SS**THydrogen-bonded Turntrans-69.5-16.4178-154.5-175.2-125.8167.40.3113.6Q123 Y125Q123-R127 PolarHBondContact O-N 3.43Å; Y125-R127 VanDerWaalsContact C-N 3.31Å; Y125-R127 PolarHBondContact O-N 3.21Å
128R66.6Low65.6Low223 Ų223151.6 Ų151.684%0.84266%0.662SS**THydrogen-bonded Turntrans-99.2-0.7-178-69.9-174-172.8-153.73.3113.4N124 Y125 E126N124-R128 WeakPolarHBondContact O-CG 3.42Å; Y125-R128 PolarHBondContact O-N 3.34Å; E126-R128 PolarHBondContact O-N 3.4Å
129R55.3Low66.2Low274 Ų274152.7 Ų152.7100%1.03466%0.663SS**  trans-100.90175.1-159.9-179.3-169.5-173.63110E126E126-R129 PolarHBondContact O-N 3.39Å

Retrieved 129 of 129 residues in 116.1 ms (Link to these results)